SCHEMBL4908698

SCHEMBL4908698

CN(C)CCOC(c1ccc(Cl)cc1)c1cnn(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.54
SLC6A3 Q01959 8/20 0.54
SLC6A4 P31645 7/20 0.54
CHRM2 P08172 6/20 0.54
CYP2D6 P10635 6/20 0.54
LMNA P02545 5/20 0.54
KCNH2 Q12809 4/20 0.54
ADRA2B P18089 4/20 0.54
HRH1 P35367 4/20 0.54
CYP2C19 P33261 3/20 0.54
HRH3 Q9Y5N1 1/20 0.54
ADRA2A P08913 5/20 0.49
CHRM1 P11229 5/20 0.49
OPRM1 P35372 4/20 0.49
DRD3 P35462 4/20 0.49
CYP1A2 P05177 3/20 0.49
ADRA1A P35348 3/20 0.49
CHRM4 P08173 3/20 0.49
CHRM5 P08912 3/20 0.49
CHRM3 P20309 3/20 0.49

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
SCHEMBL4911570 0.88 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4CHRM2CYP2D6
SCHEMBL4910365 0.80 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CHRM2CYP2D6
SCHEMBL4909564 0.79 SLC6A4 (0.57) SLC6A2SLC6A3SLC6A4CHRM2CYP2D6
SCHEMBL4907848 0.79 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4CHRM2CYP2D6
SCHEMBL6674616 0.77 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4CHRM2CYP2D6
SCHEMBL4907316 0.77 CHRM2 (0.57) SLC6A2SLC6A3SLC6A4CHRM2CYP2D6
SCHEMBL4902168 0.76 CYP3A4 (0.46) SLC6A2SLC6A3SLC6A4CHRM2CYP2D6
SCHEMBL4908219 0.76 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4CHRM2CYP2D6
SCHEMBL4909463 0.75 CYP3A4 (0.44) SLC6A2SLC6A3SLC6A4CHRM2CYP2D6
SCHEMBL5924558 0.75 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4CHRM2CYP2D6

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 37 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-1755678-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP claimed
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 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
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
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 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

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 SLC6A2 140/4885SLC6A3 75/4885SLC6A4 149/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 SLC6A2 1741/4885SLC6A3 2198/4885SLC6A4 1189/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 SLC6A2 299/4885SLC6A3 320/4885SLC6A4 389/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 SLC6A2 690/4885SLC6A3 844/4885SLC6A4 592/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI SLC6A2 1644/4885SLC6A3 3072/4885SLC6A4 2678/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 SLC6A2 140/4885SLC6A3 75/4885SLC6A4 149/4885

“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.