SCHEMBL4303080

SCHEMBL4303080

CN(C)CCOc1ccsc1Cc1ccnn1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
KAT2B Q92831 1/20 0.34
HTR1B P28222 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
STAT3 P40763 1/20 0.31
LTA4H P09960 1/20 0.31
SCN2B O60939 1/20 0.31
SCN1B Q07699 1/20 0.31
SCN9A Q15858 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
Citric Acid SCHEMBL4902056 0.86 KDM4E (0.49) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL4909282 0.80 KAT2B (0.34) HTR7DRD2DRD1DRD4DRD5
SCHEMBL4908710 0.78 HTR7 (0.35) HTR7DRD2DRD1DRD4DRD5
SCHEMBL6892797 0.77 DRD2 (0.58) HTR7DRD2DRD1DRD4DRD5
SCHEMBL7755878 0.74 LTA4H (0.56) CHRNB2CHRNA4CYP1A2CYP2D6CYP2C9
SCHEMBL6650105 0.73 NR4A2 (0.42) DRD2DRD1DRD4DRD5CHRNB2
SCHEMBL6651356 0.73 DRD2 (0.44) HTR7DRD2DRD1DRD4DRD5
SCHEMBL20706621 0.72 ADRA1D (0.43) KAT2BKDM4E
SCHEMBL6651166 0.68 KDM4E (0.38) HTR7DRD2DRD1DRD4DRD5
Citric Acid SCHEMBL8657218 0.66 KDM4E (0.70) DRD2DRD1DRD4DRD5CYP1A2

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 68 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-1820502-A1 Active substance combination comprising azolylcarbinol compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-08-22 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
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
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
US-20040162324-A1 Thienylazolylalkoxyethanamines, their preparation and their application as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. 2004-08-19 US claimed
US-20040142929-A1 Derivatives of aryl (or heteroaryl) azolylcarbinoles for the treatment of urinary incontinence LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2004-07-22 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-1086682-B1 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF NEUROGENIC INFLAMMATION ESTEVE LABOR DR (ES) 2003-04-16 EP claimed
US-6518295-B1 Such as anxiety, depression, schizophrenia, manic depressive psychosis, sexual dysfunction, drug addiction, cognitive disorders, and locomotive disorders LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2003-02-11 US 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-1086682-A2 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF NEUROGENIC INFLAMMATION LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2001-03-28 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 (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-20040142929-A1 Derivatives of aryl (or heteroaryl) azolylcarbinoles for the treatment of urinary incontinence AADAC, AHR, ABAT HTR7 455/4885DRD2 1336/4885DRD1 1457/4885
US-20020188017-A1 Thienylazolylalkoxyethanamines, their preparation and their application as medicaments HNMT, HRH4, PNMT HTR7 26/4885DRD2 45/4885DRD1 71/4885
US-20040162324-A1 Thienylazolylalkoxyethanamines, their preparation and their application as medicaments HNMT, HRH4, PNMT HTR7 26/4885DRD2 45/4885DRD1 71/4885
US-20070088024-A1 Active substance combination comprising a carbinol combined to at least an NSAID PTGS1, PTGS2, PTGES2 HTR7 839/4885DRD2 365/4885DRD1 647/4885
US-20080200693-A1 Derivatives of Aryl (or Heteroaryl) Azolylcarbinols (in Particular Cizolirtin Citrate) for the Treatment of Opioid Addiction CNR2, CNR1, HCRTR2 HTR7 920/4885DRD2 217/4885DRD1 426/4885
US-20070082893-A1 Active substance combination OPRM1, OPRK1, OPRL1 HTR7 499/4885DRD2 27/4885DRD1 101/4885

“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.