SCHEMBL4138774

SCHEMBL4138774

COc1ccccc1-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.61
AVPR1A P37288 9/20 0.61
OXTR P30559 2/20 0.59

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
SCHEMBL4147136 0.88 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL4151073 0.85 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL3538425 0.84 AVPR1A (0.76) AVPR2AVPR1A
SCHEMBL5784203 0.84 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL5783343 0.84 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL4138728 0.83 HSD17B3 (0.48) AVPR2AVPR1A
SCHEMBL5786363 0.82 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL6068902 0.81 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL6623964 0.81 AVPR2 (0.82) AVPR2AVPR1AOXTR
SCHEMBL7223918 0.80 AVPR2 (0.62) AVPR2AVPR1AOXTR

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 15 patents. 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-6903091-B2 Biphenyl vasopressin agonists WYETH (US) 2005-06-07 US 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-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
US-7223752-B2 Biphenyl vasopressin agonists WYETH (US) 2007-05-29 US disclosed
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 disclosed
US-20060276456-A1 Biphenyl vasopressin agonists WYETH (US) 2006-12-07 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
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 US 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 AVPR2 1/4885AVPR1A 4/4885OXTR 11/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 AVPR2 1/4885AVPR1A 4/4885OXTR 11/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A AVPR2 1/4885AVPR1A 3/4885OXTR 12/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 AVPR2 1/4885AVPR1A 4/4885OXTR 11/4885

“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.