SCHEMBL4908133

SCHEMBL4908133

CN(C)CCOC(c1ccc(Cl)cc1)c1nccn1CCCC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.50
SLC6A2 P23975 7/20 0.50
SLC6A3 Q01959 7/20 0.50
SLC6A4 P31645 7/20 0.50
ADRA2B P18089 6/20 0.50
HRH1 P35367 6/20 0.50
LMNA P02545 5/20 0.50
CYP2D6 P10635 5/20 0.50
KCNH2 Q12809 5/20 0.50
HRH3 Q9Y5N1 5/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.43
CHRM1 P11229 6/20 0.37
ADRA2A P08913 5/20 0.37
CHRM5 P08912 5/20 0.37
HTR2A P28223 5/20 0.37
CHRM4 P08173 4/20 0.37
CHRM3 P20309 4/20 0.37
HTR2C P28335 4/20 0.37
HTR2B P41595 4/20 0.37

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
SCHEMBL4908112 0.81 CHRM2 (0.59) CHRM2SLC6A2SLC6A3SLC6A4ADRA2B
SCHEMBL4910626 0.77 HRH3 (0.51) CHRM2SLC6A2SLC6A3SLC6A4ADRA2B
SCHEMBL4906658 0.76 MAPT (0.38) CHRM2SLC6A2SLC6A3SLC6A4ADRA2B
SCHEMBL4909447 0.76 MAPT (0.46) LMNACYP2D6CYP2C19CYP1A2KDM4E
SCHEMBL6654254 0.72 TRPM5 (0.37) LMNACYP2D6CYP2C19CYP1A2TSHR
SCHEMBL4899076 0.71 CYP2D6 (0.47) CHRM2SLC6A2SLC6A3SLC6A4ADRA2B
SCHEMBL4907362 0.71 MAPT (0.40) CHRM2SLC6A2SLC6A3SLC6A4ADRA2B
SCHEMBL4911105 0.70 SLC6A4 (0.45) CHRM2SLC6A2SLC6A3SLC6A4ADRA2B
SCHEMBL4910671 0.69 MAPT (0.47) LMNACYP2D6KCNH2CYP2C19CYP1A2
SCHEMBL4913400 0.69 SLC6A2 (0.61) CHRM2SLC6A2SLC6A3SLC6A4ADRA2B

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 30 patents — showing the first 20. 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-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
WO-2006087147-A2 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS FOR THE TREATMENT OF FIBROMYALGIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-24 WO 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
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
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 CHRM2 677/4885SLC6A2 140/4885SLC6A3 75/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 CHRM2 2497/4885SLC6A2 1741/4885SLC6A3 2198/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 CHRM2 571/4885SLC6A2 299/4885SLC6A3 320/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 CHRM2 1927/4885SLC6A2 690/4885SLC6A3 844/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI CHRM2 4475/4885SLC6A2 1644/4885SLC6A3 3072/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 CHRM2 677/4885SLC6A2 140/4885SLC6A3 75/4885

“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.