SCHEMBL4902409

SCHEMBL4902409

Cc1ccccc1C(OCCCN(C)C)c1ccnn1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.54
CHRM2 P08172 4/20 0.54
ADRA2A P08913 4/20 0.54
CHRM1 P11229 4/20 0.54
SLC6A2 P23975 4/20 0.54
SLC6A4 P31645 4/20 0.54
OPRM1 P35372 4/20 0.54
DRD3 P35462 4/20 0.54
SLC6A3 Q01959 4/20 0.54
HRH1 P35367 3/20 0.54
ADRA1A P35348 3/20 0.54
KCNH2 Q12809 3/20 0.54
DRD1 P21728 3/20 0.54
CHRM4 P08173 2/20 0.54
CHRM5 P08912 2/20 0.54
ADRA2B P18089 2/20 0.54
CHRM3 P20309 2/20 0.54
HRH2 P25021 2/20 0.54
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54

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
SCHEMBL4911415 0.93 CYP2D6 (0.64) CYP2D6CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4910683 0.85 SLC6A2 (0.54) CYP2D6CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4912481 0.80 LMNA (0.47) CYP2D6CHRM2ADRA2ACHRM1SLC6A2
Cizolirtine SCHEMBL5186750 0.77 SLC6A2 (0.65) CYP2D6CHRM2ADRA2ACHRM1SLC6A2
Cizolirtine SCHEMBL2776433 0.77 SLC6A2 (0.65) CYP2D6CHRM2ADRA2ACHRM1SLC6A2
Cizolirtine SCHEMBL290138 0.77 SLC6A2 (0.65) CYP2D6CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL9379654 0.77 CHRM2 (0.49) CYP2D6CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL17847898 0.73 SLC6A2 (0.48) CYP2D6CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL4902097 0.73 SLC6A2 (0.50) CYP2D6CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL17847832 0.72 IDO1 (0.35) CYP2D6CHRM2ADRA2ACHRM1SLC6A2

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 32 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
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
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
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-1786419-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS (IN PARTICULAR CIZOLIRTIN CITRATE) FOR THE TREATMENT OF OPIOID ADDICTION 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
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-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 CYP2D6 133/4885CHRM2 677/4885ADRA2A 607/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 CYP2D6 404/4885CHRM2 2497/4885ADRA2A 2426/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 CYP2D6 187/4885CHRM2 571/4885ADRA2A 235/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 CYP2D6 636/4885CHRM2 1927/4885ADRA2A 1445/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI CYP2D6 595/4885CHRM2 4475/4885ADRA2A 456/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 CYP2D6 133/4885CHRM2 677/4885ADRA2A 607/4885

“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.