SCHEMBL12076284

SCHEMBL12076284

[2H]C1([2H])CCC(=O)c2cc(Cl)ccc2N1C(=O)c1ccc(NC(=O)c2ccccc2C)cc1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.61
AVPR1A P37288 4/20 0.61
ABCB11 O95342 1/20 0.61
ADRB2 P07550 1/20 0.61
HTR1A P08908 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
TBXA2R P21731 1/20 0.61
HTR2C P28335 1/20 0.61
HRH1 P35367 1/20 0.61
OPRM1 P35372 1/20 0.61
GLP1R P43220 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
FFAR4 Q5NUL3 1/20 0.61
GPR119 Q8TDV5 1/20 0.61
PNLIP P16233 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
OXTR P30559 1/20 0.44

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
SCHEMBL12076275 0.94 AVPR2 (0.60) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL533754 0.91 AVPR2 (0.70) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL30354671 0.91 AVPR2 (0.70) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL31344362 0.91 AVPR2 (0.70) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL14962830 0.88 AVPR2 (0.67) AVPR2AVPR1AABCB11ADRB2HTR1A
Tolvaptan SCHEMBL12076193 0.83 AVPR2 (0.84) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL14962832 0.83 AVPR2 (0.70) AVPR2AVPR1AABCB11ADRB2HTR1A
Tolvaptan SCHEMBL12076380 0.82 AVPR2 (0.69) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL26405946 0.82 AVPR2 (0.68) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL20407284 0.80 AVPR2 (0.71) AVPR2AVPR1AABCB11ADRB2HTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940727-B2 Benzazepine compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-27 US disclosed
US-20130131045-A1 BENZAZEPINE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-23 US disclosed
US-20130131045-A1 BENZAZEPINE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-23 US disclosed
EP-2495236-A1 BENZAZEPINE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP 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 (1 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-20130131045-A1 BENZAZEPINE COMPOUND AVPR2, AVPR1B, AVPR1A AVPR2 1/4885AVPR1A 3/4885ABCB11 1146/4885

“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.