SCHEMBL4138728

SCHEMBL4138728

COc1ccccc1-c1ccc(C(=O)N2Cc3ccccc3N(C)c3ccccc32)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.48
AVPR2 P30518 15/20 0.45
AVPR1A P37288 7/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL4137666 0.88 AVPR2 (0.61) HSD17B3AVPR2AVPR1APOLBALDH1A1
SCHEMBL4146709 0.87 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL4145689 0.85 TSHR (0.48) HSD17B3AVPR2AVPR1AALDH1A1
SCHEMBL4140577 0.83 AVPR2 (0.48) AVPR2AVPR1APOLBALDH1A1GAA
SCHEMBL4138774 0.83 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL4150438 0.75 AVPR2 (0.66) AVPR2AVPR1A
SCHEMBL7079353 0.75 AVPR2 (0.44) HSD17B3AVPR2AVPR1APOLBALDH1A1
SCHEMBL4150860 0.74 AVPR2 (0.61) HSD17B3AVPR2AVPR1AALDH1A1
SCHEMBL13602473 0.73 DHODH (0.53) HSD17B3PDK2
SCHEMBL4154260 0.71 AVPR2 (0.46) HSD17B3AVPR2AVPR1APOLBALDH1A1

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
US-7223752-B2 Biphenyl vasopressin agonists WYETH (US) 2007-05-29 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-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 HSD17B3 225/4885AVPR2 1/4885AVPR1A 4/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 HSD17B3 225/4885AVPR2 1/4885AVPR1A 4/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A HSD17B3 356/4885AVPR2 1/4885AVPR1A 3/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 HSD17B3 225/4885AVPR2 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.