SCHEMBL4145691

SCHEMBL4145691

CN1c2ccccc2CN(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.61
AVPR2 P30518 9/20 0.61
OXTR P30559 2/20 0.56
POLB P06746 3/20 0.52
HSD17B3 P37058 1/20 0.48
HPGD P15428 3/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
ADAM17 P78536 1/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 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
SCHEMBL5113889 0.89 HTT (0.52) AVPR1AAVPR2OXTRPOLBALDH1A1
SCHEMBL4152292 0.87 AVPR1A (0.65) AVPR1AAVPR2OXTRHPGDKMT2A
SCHEMBL4145636 0.86 TSHR (0.51) AVPR1AAVPR2HSD17B3HPGDALDH1A1
SCHEMBL4140577 0.84 AVPR2 (0.48) AVPR1AAVPR2POLBALDH1A1KMT2A
SCHEMBL4144847 0.83 AVPR2 (0.52) AVPR1AAVPR2OXTRPOLBHSD17B3
Formaldehyde SCHEMBL6355613 0.81 AVPR2 (0.51) AVPR1AAVPR2OXTRPOLBHSD17B3
SCHEMBL5115315 0.81 AVPR1A (0.42) AVPR1AAVPR2OXTRPOLBHPGD
SCHEMBL4151567 0.78 HTT (0.60) AVPR1AAVPR2OXTRHPGDALDH1A1
SCHEMBL7339384 0.76 AVPR1A (0.62) AVPR1AAVPR2OXTRPOLBHPGD
SCHEMBL3554976 0.76 AVPR1A (1.00) AVPR1AAVPR2

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 AVPR1A 4/4885AVPR2 1/4885OXTR 11/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 AVPR1A 4/4885AVPR2 1/4885OXTR 11/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A AVPR1A 3/4885AVPR2 1/4885OXTR 12/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 AVPR1A 4/4885AVPR2 1/4885OXTR 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.