SCHEMBL4152292

SCHEMBL4152292

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccccc3N(C)c3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.65
AVPR2 P30518 7/20 0.65
KCNN4 O15554 1/20 0.46
KCNA3 P22001 1/20 0.46
SLC6A7 Q99884 1/20 0.45
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
OXTR P30559 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4145691 0.87 AVPR1A (0.61) AVPR1AAVPR2OXTRNPC1HPGD
SCHEMBL4142035 0.86 AVPR2 (0.55) AVPR1AAVPR2KCNN4KCNA3SLC6A7
SCHEMBL4140577 0.85 AVPR2 (0.48) AVPR1AAVPR2HTR1DHTR1BKMT2A
SCHEMBL4146709 0.82 AVPR2 (0.49) AVPR1AAVPR2OXTR
SCHEMBL4138543 0.79 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL5113889 0.78 HTT (0.52) AVPR1AAVPR2OXTRRAB9AKMT2A
SCHEMBL4145636 0.77 TSHR (0.51) AVPR1AAVPR2HPGDRAB9AKMT2A
SCHEMBL7107601 0.76 AVPR1A (0.65) AVPR1AAVPR2KCNN4KCNA3
SCHEMBL5785129 0.75 AVPR2 (0.61) AVPR1AAVPR2SLC6A7
SCHEMBL5115315 0.75 AVPR1A (0.42) AVPR1AAVPR2KCNN4KCNA3SLC6A7

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-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
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 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
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 AVPR1A 4/4885AVPR2 1/4885KCNN4 325/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 AVPR1A 4/4885AVPR2 1/4885KCNN4 325/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A AVPR1A 3/4885AVPR2 1/4885KCNN4 525/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 AVPR1A 4/4885AVPR2 1/4885KCNN4 325/4885

“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.