SCHEMBL4900429

SCHEMBL4900429

Cn1nccc1C(O)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
LPAR1 Q92633 1/20 0.38
PGR P06401 1/20 0.37
IGFBP3 P17936 1/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
AOC3 Q16853 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
BLM P54132 1/20 0.36
HTT P42858 1/20 0.36
ACP3 P15309 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL17847843 0.82 GABRA1 (0.41) MAPT
SCHEMBL4908659 0.82 GAA (0.47) ALDH1A1ACP3
SCHEMBL332337 0.82 P2RX7 (0.42) ALDH1A1MAPT
SCHEMBL17847835 0.81 CES2 (0.39)
SCHEMBL17847860 0.79 SMN1; SMN2 (0.51) CYP19A1ALDH1A1HTTMAPT
SCHEMBL7589137 0.78 KDM4E (0.50) PGRCYP19A1ALDH1A1HTT
SCHEMBL7590836 0.78 KDM4E (0.50) PGRCYP19A1ALDH1A1HTT
SCHEMBL2788882 0.78 KDM4E (0.50) PGRCYP19A1ALDH1A1HTT
SCHEMBL4899497 0.73 HTT (0.45) CYP2D6CYP2C19ALDH1A1HTTMAPT
SCHEMBL17844451 0.72 MAPT (0.44) ALDH1A1HTTMAPT

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 45 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-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
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
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-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
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-5017596-A Arylpyrazolylcarbinol compounds with analgesic activity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-05-21 US 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 (5 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-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 KDM4C 3069/4885LPAR1 3237/4885PGR 1570/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 KDM4C 3210/4885LPAR1 757/4885PGR 955/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 KDM4C 3082/4885LPAR1 2592/4885PGR 924/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI KDM4C 1749/4885LPAR1 943/4885PGR 4545/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 KDM4C 1688/4885LPAR1 2244/4885PGR 870/4885

“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.