SCHEMBL3538425

SCHEMBL3538425

COc1ccccc1-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.76
AVPR2 P30518 8/20 0.76

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
SCHEMBL3536314 0.86 AVPR1A (0.64) AVPR1AAVPR2
SCHEMBL4145424 0.86 AVPR1A (0.79) AVPR1AAVPR2
SCHEMBL4138543 0.86 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL4138774 0.84 AVPR2 (0.61) AVPR1AAVPR2
SCHEMBL3554976 0.83 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL7332271 0.82 AVPR1A (0.72) AVPR1AAVPR2
SCHEMBL5782712 0.82 AVPR1A (0.74) AVPR1AAVPR2
SCHEMBL3533003 0.82 AVPR1A (0.70) AVPR1AAVPR2
SCHEMBL4153726 0.82 AVPR1A (0.74) AVPR1AAVPR2
SCHEMBL5740017 0.81 AVPR2 (0.73) AVPR1AAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227565-A1 Biphenyl Vasopressin Agonists WYETH (US) 2009-09-10 US claimed
EP-1381370-B1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH CORP (US) 2007-03-07 EP claimed
US-20050075328-A1 Biphenyl vasopressin agonists WYETH (US) 2005-04-07 US claimed
EP-1381370-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS Wyeth (US) 2004-01-21 EP claimed
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 US claimed
WO-2002083145-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH (US) 2002-10-24 WO claimed
US-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US disclosed
US-7687623-B2 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH LLC (US) 2010-03-30 US disclosed
US-20090227565-A1 Biphenyl Vasopressin Agonists WYETH (US) 2009-09-10 US disclosed
US-7465722-B2 Biphenyl vasopressin agonists WYETH (US) 2008-12-16 US disclosed
EP-1879897-A1 PYRROLOBENZODIAZEPINES AND HETEROARYL, ARYL AND CYCLOALKYLAMINO KETONE DERIVATIVES AS FOLLICLE STIMULATING HORMONE RECEPTOR -(FISH-R) ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
EP-1879898-A2 PYRROLOBENZODIAZEPINES AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS FOLLICLE STIMULATING HORMONE RECEPTOR (FSH-R) ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-7223752-B2 Biphenyl vasopressin agonists WYETH (US) 2007-05-29 US disclosed
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-09-07 US disclosed
US-6903091-B2 Biphenyl vasopressin agonists WYETH (US) 2005-06-07 US disclosed
US-20050075328-A1 Biphenyl vasopressin agonists WYETH (US) 2005-04-07 US disclosed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
EP-1381370-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS Wyeth (US) 2004-01-21 EP disclosed
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 US disclosed
WO-2002083145-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH (US) 2002-10-24 WO 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 (4 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-20090227565-A1 Biphenyl Vasopressin Agonists AVPR2, AVPR1B, SSTR3 AVPR1A 4/4885AVPR2 1/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A AVPR1A 3/4885AVPR2 1/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 AVPR1A 4/4885AVPR2 1/4885
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, LHCGR AVPR1A 63/4885AVPR2 31/4885

“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.