SCHEMBL4154260

SCHEMBL4154260

COc1ccccc1-c1ccc(C(=O)N2Cc3cccnc3N(C)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.46
FFAR2 O15552 9/20 0.45
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
AVPR1A P37288 2/20 0.41
OXTR P30559 1/20 0.41
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
ROCK2 O75116 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HSD17B3 P37058 1/20 0.39

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
SCHEMBL4142035 0.87 AVPR2 (0.55) AVPR2KMT2AAVPR1AOXTRHTR1D
SCHEMBL4140577 0.87 AVPR2 (0.48) AVPR2FFAR2MEN1POLBKMT2A
SCHEMBL4144847 0.86 AVPR2 (0.52) AVPR2POLBKMT2AAVPR1AOXTR
SCHEMBL4137666 0.85 AVPR2 (0.61) AVPR2POLBAVPR1AALDH1A1GAA
Formaldehyde SCHEMBL6355613 0.84 AVPR2 (0.51) AVPR2POLBKMT2AAVPR1AOXTR
SCHEMBL4141160 0.83 AVPR2 (0.47) AVPR2MEN1KMT2ACDK4CCND1
SCHEMBL5118133 0.78 AVPR2 (0.47) AVPR2FFAR2MEN1POLBKMT2A
SCHEMBL4150860 0.73 AVPR2 (0.61) AVPR2MEN1KMT2AAVPR1AALDH1A1
SCHEMBL3538425 0.73 AVPR1A (0.76) AVPR2AVPR1A
SCHEMBL4150438 0.72 AVPR2 (0.66) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 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
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 (3 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 1/4885FFAR2 423/4885MEN1 427/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 AVPR2 1/4885FFAR2 423/4885MEN1 427/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 AVPR2 1/4885FFAR2 423/4885MEN1 427/4885

“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.