SCHEMBL4150867

SCHEMBL4150867

O=C(c1ccc(-c2ccccc2)cc1)N1Cc2cccnc2Nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 19/20 0.62
AVPR2 P30518 1/20 0.57
AVPR1A P37288 1/20 0.57

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
SCHEMBL4151567 0.84 HTT (0.60) AVPR2AVPR1A
SCHEMBL7335578 0.84 AVPR2 (0.57) IDH1AVPR2AVPR1A
SCHEMBL5111295 0.83 IDH1 (0.68) IDH1
SCHEMBL27486147 0.83 IDH1 (0.73) IDH1
SCHEMBL7217742 0.82 IDH1 (0.57) IDH1AVPR2
SCHEMBL7217651 0.81 IDH1 (0.56) IDH1AVPR2
SCHEMBL7216327 0.79 IDH1 (0.54) IDH1
SCHEMBL7212705 0.79 IDH1 (0.55) IDH1AVPR2
SCHEMBL7211695 0.79 AVPR2 (0.54) IDH1AVPR2AVPR1A
SCHEMBL17806760 0.78 IDH1 (0.80) IDH1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227565-A1 Biphenyl Vasopressin Agonists WYETH (US) 2009-09-10 US claimed
US-7465722-B2 Biphenyl vasopressin agonists WYETH (US) 2008-12-16 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-20060276456-A1 Biphenyl vasopressin agonists WYETH (US) 2006-12-07 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
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 IDH1 3531/4885AVPR2 1/4885AVPR1A 4/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 IDH1 3531/4885AVPR2 1/4885AVPR1A 4/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A IDH1 3796/4885AVPR2 1/4885AVPR1A 3/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 IDH1 3531/4885AVPR2 1/4885AVPR1A 4/4885

“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.