SCHEMBL4908799

SCHEMBL4908799

Cn1nccc1C(C)(O)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.36
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HCRTR1 O43613 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 3/20 0.31
CNR2 P34972 3/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
RGS12 O14924 1/20 0.31
HTT P42858 1/20 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
SCHEMBL14777822 0.75
SCHEMBL5731973 0.75 CNR1 (0.41) CHRM3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL19857578 0.72 COMT (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL4909554 0.71 CHRM2 (0.41) KDM4EMEN1KMT2ATRPM8CHRM2
SCHEMBL8615796 0.69 HSPA5 (0.34) CHRM3CNR1CNR2
SCHEMBL6648798 0.69 ESR1 (0.41) HPGDALDH1A1MEN1KMT2A
SCHEMBL22071582 0.68 COMT (0.35) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5164470 0.67
SCHEMBL12006685 0.67 CNR1 (0.41) CHRM3HPGDNPC1ALDH1A1RAB9A
SCHEMBL2625504 0.67 COMT (0.38) NPC1ALDH1A1RAB9AKMT2ACNR2

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 52 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
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
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-1072266-B1 THIENYLAZOLYLALCOXYETHANAMINES, THEIR PREPARATION AND THEIR APPLICATION AS MEDICAMENTS ESTEVE LABOR DR (ES) 2005-08-24 EP claimed
US-20040162324-A1 Thienylazolylalkoxyethanamines, their preparation and their application as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. 2004-08-19 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
US-20020188017-A1 Thienylazolylalkoxyethanamines, their preparation and their application as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. 2002-12-12 US 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-1072266-A1 THIENYLAZOLYLALCOXYETHANAMINES, THEIR PREPARATION AND THEIR APPLICATION AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2001-01-31 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 (7 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 CHRM3 212/4885HPGD 480/4885KDM4E 3212/4885
US-20020188017-A1 Thienylazolylalkoxyethanamines, their preparation and their application as medicaments HNMT, HRH4, PNMT CHRM3 17/4885HPGD 223/4885KDM4E 1013/4885
US-20040162324-A1 Thienylazolylalkoxyethanamines, their preparation and their application as medicaments HNMT, HRH4, PNMT CHRM3 17/4885HPGD 223/4885KDM4E 1013/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 CHRM3 1391/4885HPGD 68/4885KDM4E 4024/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 CHRM3 267/4885HPGD 583/4885KDM4E 3327/4885
US-20050222136-A1 Active substance combination PTGS1, MMP8, TACR1 CHRM3 1063/4885HPGD 134/4885KDM4E 4179/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 CHRM3 212/4885HPGD 480/4885KDM4E 3212/4885

“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.