SCHEMBL1401191

SCHEMBL1401191

OC1(c2cccs2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
OPRL1 P41146 2/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
DRD2 P14416 1/20 0.43
CCR1 P32246 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
SLC6A2 P23975 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 1/20 0.39
PRCP P42785 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A3 Q01959 1/20 0.38
SLC6A4 P31645 1/20 0.36

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
SCHEMBL1308581 0.86
Tert-Butyl Formate SCHEMBL27766580 0.83 OPRM1 (0.39) OPRM1OPRL1OPRD1OPRK1DRD2
SCHEMBL1309560 0.82 OPRM1 (0.54) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL1310931 0.82 OPRM1 (0.54) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL1309171 0.80 SLC6A2 (0.55) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL1309718 0.80 SLC6A2 (0.55) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL1309646 0.80 SLC6A2 (0.55) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL9311941 0.79 OPRM1 (0.42) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL20887792 0.78 OPRM1 (0.51) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL4100950 0.77 SLC6A2 (0.43) OPRM1OPRL1OPRD1OPRK1SIGMAR1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
EP-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
EP-2356101-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2011-08-17 EP disclosed
EP-1100824-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2011-03-02 EP disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US disclosed
EP-0755932-A1 (Thiophen-2-yl)piperidin or tetrahydropyridin-azabicyclocarboxamides AMERICAN HOME PRODUCTS CORPORATION (US) 1997-01-29 EP disclosed
US-5525600-A COMPOUND USEFUL AS ANTIPSYCHOTIC, ANTIDEPRESSANT AND ANXIBLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-11 US disclosed
WO-1996016961-A1 (THIOPHEN-2-YL)-PIPERIDIN OR TETRAHYDROPYRIDIN CARBOXAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-06 WO disclosed
EP-0711291-A1 N-(PIPERIDINYL-1-ALKYL)-SUBSTITUTED CYCLOHEXANE CARBOXYLIC ACID AMIDES AS 5-HT1A RECEPTOR ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1996-05-15 EP disclosed
WO-1995002592-A1 N-(PIPERIDINYL-1-ALKYL)-SUBSTITUTED CYCLOHEXANE CARBOXYLIC ACID AMIDES AS 5-HT1A RECEPTOR ANTAGONISTS JOHN WYETH & BROTHER LTD. (GB) 1995-01-26 WO disclosed
US-5292738-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-08 US disclosed
US-5157035-A Viricides JANSSEN PHARMACEUTICA N. V. (BE) 1992-10-20 US disclosed
US-5001125-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-19 US disclosed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 EP disclosed
EP-0156433-A2 Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS OPRM1 1056/4885OPRL1 522/4885OPRD1 1063/4885

“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.