SCHEMBL4899014

SCHEMBL4899014

CN(C)CCCOC(c1ccc(Cl)cc1)(c1nccn1C)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.37
CHRM1 P11229 5/20 0.37
CHRM4 P08173 4/20 0.37
CHRM3 P20309 4/20 0.37
BCL2 P10415 2/20 0.34
HRH3 Q9Y5N1 7/20 0.33
SLC6A4 P31645 5/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A2 P23975 4/20 0.31
SLC6A3 Q01959 4/20 0.31
KCNH2 Q12809 4/20 0.31
HTR1A P08908 3/20 0.31
ADRA2A P08913 3/20 0.31
DRD1 P21728 3/20 0.31
ADRA1A P35348 3/20 0.31
OPRM1 P35372 3/20 0.31
DRD3 P35462 3/20 0.31
CYP2D6 P10635 3/20 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
SCHEMBL4909530 0.91 HRH4 (0.35) CHRM2CHRM1CHRM4CHRM3BCL2
SCHEMBL4909562 0.90 CHRM2 (0.35) CHRM2CHRM1CHRM4CHRM3HRH3
SCHEMBL4904553 0.85 LSS (0.34) CHRM2CHRM1CHRM4CHRM3HRH3
SCHEMBL9374107 0.84 UTS2R (0.36) HRH3SLC6A4KCNH2CYP2D6CYP3A4
SCHEMBL4911493 0.83 POLB (0.33) CHRM2CHRM1CHRM4CHRM3HRH3
SCHEMBL4907859 0.79 CHRM2 (0.40) CHRM2CHRM1CHRM4CHRM3BCL2
SCHEMBL4916153 0.77 BCL2 (0.38) CHRM2CHRM1CHRM4CHRM3BCL2
SCHEMBL6466731 0.77
SCHEMBL4909425 0.72 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3BCL2
SCHEMBL4900208 0.72 CYP19A1 (0.53) CHRM2CHRM1CHRM4CHRM3TSHR

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
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 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
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-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
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

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 677/4885CHRM1 651/4885CHRM4 481/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 CHRM2 2497/4885CHRM1 2625/4885CHRM4 2894/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 CHRM2 571/4885CHRM1 492/4885CHRM4 484/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 CHRM2 1927/4885CHRM1 2207/4885CHRM4 2076/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI CHRM2 4475/4885CHRM1 4613/4885CHRM4 4742/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 CHRM2 677/4885CHRM1 651/4885CHRM4 481/4885

“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.