SCHEMBL4904538

SCHEMBL4904538

CCCCn1ccnc1C(CCCC)(OCCCN(C)C)c1ccccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
GSK3B P49841 1/20 0.34
ADRA1A P35348 2/20 0.33
KCNH2 Q12809 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
OPRK1 P41145 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4908267 0.90 ADRA1A (0.34) PRKCGPRKCBPRKCAGSK3BADRA1A
SCHEMBL4902326 0.89 KMT2A (0.32) KCNH2ALDH1A1POLBKMT2ACYP1A2
SCHEMBL4902316 0.76 TLR8 (0.33) ALDH1A1POLBKMT2AHRH3MAPT
SCHEMBL4909363 0.75 KMT2A (0.40) ADRA1AKCNH2ALDH1A1POLBKMT2A
SCHEMBL4907561 0.74 CHRM2 (0.39) PRKCGPRKCBPRKCAGSK3BADRA1A
SCHEMBL4899502 0.74 CHRM2 (0.37) ADRA1AKCNH2ALDH1A1POLBKMT2A
SCHEMBL4909445 0.74 KDM4E (0.33) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL4911390 0.73 KDM4E (0.38) KMT2AHTR2AHTR2CTP53MAPT
SCHEMBL9783061 0.69 TLR8 (0.46) KCNH2ALDH1A1POLBKMT2ATP53
SCHEMBL4911342 0.69 NPC1 (0.36) ADRA1AKCNH2ALDH1A1KMT2ATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-08-21 US claimed
EP-1786420-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF CENTRAL NEUROPATHIC PAIN Laboratorios del Dr. Esteve S.A. (ES) 2007-05-23 EP claimed
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-04-19 US claimed
US-20070082893-A1 Active substance combination LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-04-12 US claimed
EP-1755678-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP claimed
WO-2005097192-A9 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID ESTEVE LABOR DR (ES) 2007-01-18 WO claimed
EP-1695704-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of fibromyalgia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-30 EP claimed
EP-1690537-A1 Derivatives of aryl(or heteroaryl) azolycarbinols for the treatment of fibromyalgia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-16 EP claimed
EP-1642577-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of central neuropathic pain Laboratorios del Dr. Esteve S.A. (ES) 2006-04-05 EP claimed
WO-2006027226-A1 DERIVATIVES OF ARYL(OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF CENTRAL NEUROPATHIC PAIN LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2006-03-16 WO claimed
EP-1632227-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction Laboratorios del Dr. Esteve S.A. (ES) 2006-03-08 EP claimed
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic LABORATORIOS DR. ESTEVE S.A. (ES) 2006-02-23 US claimed
WO-2005097192-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed
EP-1584335-A2 Active substance combination comprising a carbinol composition and an opioid LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-12 EP claimed
US-20050222136-A1 Active substance combination LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-10-06 US claimed
US-20050222135-A1 Active substance combination LABORATIONS DEL DR. ESTEVE S.A. (ES) 2005-10-06 US claimed
EP-1103243-B1 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P ESTEVE LABOR DR (ES) 2004-01-07 EP claimed
EP-1103243-A2 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2001-05-30 EP claimed
EP-0289380-B1 Aryl-heteroaryl-carbinol derivatives having an analgesic activity ESTEVE LABOR DR (ES) 1994-12-28 EP claimed
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-08-21 US disclosed
EP-1786420-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF CENTRAL NEUROPATHIC PAIN Laboratorios del Dr. Esteve S.A. (ES) 2007-05-23 EP disclosed
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-04-19 US disclosed
US-20070082893-A1 Active substance combination LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-04-12 US disclosed
EP-1746986-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP disclosed
WO-2005097192-A9 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID ESTEVE LABOR DR (ES) 2007-01-18 WO disclosed
EP-1695704-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of fibromyalgia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-30 EP disclosed
EP-1690537-A1 Derivatives of aryl(or heteroaryl) azolycarbinols for the treatment of fibromyalgia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-16 EP disclosed
EP-1642577-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of central neuropathic pain Laboratorios del Dr. Esteve S.A. (ES) 2006-04-05 EP disclosed
WO-2006027226-A1 DERIVATIVES OF ARYL(OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF CENTRAL NEUROPATHIC PAIN LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2006-03-16 WO disclosed
EP-1632227-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction Laboratorios del Dr. Esteve S.A. (ES) 2006-03-08 EP disclosed
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic LABORATORIOS DR. ESTEVE S.A. (ES) 2006-02-23 US disclosed
WO-2005097099-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO disclosed
EP-1584335-A2 Active substance combination comprising a carbinol composition and an opioid LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-12 EP disclosed
US-20050222136-A1 Active substance combination LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-10-06 US disclosed
US-20050222136-A1 Active substance combination LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-10-06 US disclosed
US-20050222135-A1 Active substance combination LABORATIONS DEL DR. ESTEVE S.A. (ES) 2005-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050222135-A1 Active substance combination OPRM1, OPRK1, OPRL1 PRKCG 4042/4885PRKCB 4366/4885PRKCA 4248/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 PRKCG 3011/4885PRKCB 3258/4885PRKCA 3273/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 PRKCG 3061/4885PRKCB 2460/4885PRKCA 3714/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 PRKCG 3524/4885PRKCB 3518/4885PRKCA 3480/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI PRKCG 1069/4885PRKCB 674/4885PRKCA 2180/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 PRKCG 4042/4885PRKCB 4366/4885PRKCA 4248/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.