SCHEMBL4909554

SCHEMBL4909554

CN(C)CCOC(C)(c1cccs1)c1ccnn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CYP2D6 P10635 2/20 0.36
BLM P54132 1/20 0.36
HTR6 P50406 2/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRA2B P18089 1/20 0.34
NFKB1 P19838 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL4911482 0.80 CHRM2 (0.60) CHRM2CYP2D6BLMHTR6CYP1A2
SCHEMBL4904577 0.73 CHRM2 (0.51) CHRM2CYP2D6BLMCYP1A2ADRA2A
SCHEMBL4908799 0.71 CHRM3 (0.36) CHRM2CHRM1KDM4EMEN1KMT2A
SCHEMBL20489269 0.68 CHRM2 (0.45) CHRM2CYP2D6BLMKDM4E
SCHEMBL4902207 0.66 CHRM2 (0.45) CHRM2CYP2D6BLMHTR6CYP1A2
SCHEMBL6650174 0.66 CHRM2 (0.54) CHRM2CYP2D6BLMHTR6CYP1A2
SCHEMBL2143234 0.65 LMNA (0.43) CHRM2CYP2D6BLMHTR6CYP1A2
SCHEMBL4910693 0.62 CHRM2 (0.41) CHRM2CYP2D6BLMHTR6CHRM5
SCHEMBL4905205 0.61 CHRM2 (0.54) CHRM2CYP2D6BLMHTR6CYP1A2
Moxastine SCHEMBL29281 0.60 CHRM2 (0.71) CHRM2CYP2D6BLMHTR6CYP1A2

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 42 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-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
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
WO-2006027221-A1 DERIVATIVES OF ARYL (OR HETEROARYL) AZOLYLCARBINOLS (IN PARTICULAR CIZOLIRTIN CITRATE) FOR THE TREATMENT OF OPIOID ADDICTION LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2006-03-16 WO 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-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
US-6410582-B1 ANALGESICS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2002-06-25 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 CHRM2 677/4885CYP2D6 133/4885BLM 4808/4885
US-20020188017-A1 Thienylazolylalkoxyethanamines, their preparation and their application as medicaments HNMT, HRH4, PNMT CHRM2 41/4885CYP2D6 100/4885BLM 2835/4885
US-20040162324-A1 Thienylazolylalkoxyethanamines, their preparation and their application as medicaments HNMT, HRH4, PNMT CHRM2 41/4885CYP2D6 100/4885BLM 2835/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 CHRM2 2497/4885CYP2D6 404/4885BLM 4187/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 CHRM2 571/4885CYP2D6 187/4885BLM 4850/4885
US-20060040924-A1 Derivatives of aryl (or heteroaryl) azolylcarbinols for the treatment of renal colic SLC10A2, FABP2, FANCI CHRM2 4475/4885CYP2D6 595/4885BLM 2372/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 CHRM2 677/4885CYP2D6 133/4885BLM 4808/4885

“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.