SCHEMBL27164751

SCHEMBL27164751

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCCCOc3ccccc3)c3cc(Cl)ccc32)c(C)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.76
AVPR1A P37288 5/20 0.66
ABCB11 O95342 1/20 0.66
ADRB2 P07550 1/20 0.66
HTR1A P08908 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
CHRM1 P11229 1/20 0.66
TBXA2R P21731 1/20 0.66
HTR2C P28335 1/20 0.66
HRH1 P35367 1/20 0.66
OPRM1 P35372 1/20 0.66
GLP1R P43220 1/20 0.66
TMEM97 Q5BJF2 1/20 0.66
FFAR4 Q5NUL3 1/20 0.66
GPR119 Q8TDV5 1/20 0.66

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
SCHEMBL27164754 0.99 AVPR2 (0.77) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL24658559 0.97 AVPR2 (0.78) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL27164756 0.95 AVPR2 (0.75) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL24658484 0.88 AVPR2 (0.94) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL24658360 0.88 AVPR2 (0.94) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL24658361 0.88 AVPR2 (0.94) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL27164745 0.87 AVPR2 (0.96) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL24658357 0.87 AVPR2 (0.96) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL24658359 0.87 AVPR2 (0.96) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL27164731 0.86 AVPR2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076279-A1 NOVEL BENZOAZEPINE COMPOUND, AND COMPOSITION AND USE THEREOF XUZHOU MEDICAL UNIVERSITY (CN) 2024-03-07 US claimed
US-20240076279-A1 NOVEL BENZOAZEPINE COMPOUND, AND COMPOSITION AND USE THEREOF XUZHOU MEDICAL UNIVERSITY (CN) 2024-03-07 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 (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-20240076279-A1 NOVEL BENZOAZEPINE COMPOUND, AND COMPOSITION AND USE THEREOF AVPR1B, AVPR2, AVPR1A AVPR2 2/4885AVPR1A 3/4885ABCB11 956/4885

“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.