SCHEMBL4144847

SCHEMBL4144847

CN1c2ccccc2N(C(=O)c2ccc(-c3ccccc3)cc2)Cc2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.52
AVPR1A P37288 9/20 0.50
OXTR P30559 3/20 0.48
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.43
SLC6A7 Q99884 3/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.42
HSD17B3 P37058 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Formaldehyde SCHEMBL6355613 0.98 AVPR2 (0.51) AVPR2AVPR1AOXTRPOLBALDH1A1
SCHEMBL4142035 0.89 AVPR2 (0.55) AVPR2AVPR1AOXTRSLC6A7HPGD
SCHEMBL4141160 0.88 AVPR2 (0.47) AVPR2ALDH1A1TSHRHSD17B3HPGD
SCHEMBL4154260 0.86 AVPR2 (0.46) AVPR2AVPR1AOXTRPOLBALDH1A1
SCHEMBL5118133 0.84 AVPR2 (0.47) AVPR2AVPR1AOXTRPOLBSLC6A7
SCHEMBL4145691 0.83 AVPR1A (0.61) AVPR2AVPR1AOXTRPOLBALDH1A1
SCHEMBL4150867 0.77 IDH1 (0.62) AVPR2AVPR1A
SCHEMBL7342405 0.77 AVPR1A (0.48) AVPR2AVPR1AOXTRPOLBALDH1A1
SCHEMBL4150438 0.76 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL5113889 0.74 HTT (0.52) AVPR2AVPR1AOXTRPOLBALDH1A1

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