SCHEMBL31034445

SCHEMBL31034445

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(OCOP(=O)([O-])OCC[N+](C)(C)C)c3cc(Cl)ccc32)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.63
AVPR1A P37288 6/20 0.63
ABCB11 O95342 2/20 0.63
HTR1A P08908 2/20 0.63
CHRM1 P11229 2/20 0.63
OPRM1 P35372 2/20 0.63
ADRB2 P07550 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
TBXA2R P21731 1/20 0.63
HTR2C P28335 1/20 0.63
HRH1 P35367 1/20 0.63
GLP1R P43220 1/20 0.63
TMEM97 Q5BJF2 1/20 0.63
FFAR4 Q5NUL3 1/20 0.63
GPR119 Q8TDV5 1/20 0.63
OXTR P30559 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
AVPR1B P47901 1/20 0.42

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
SCHEMBL596175 0.88 AVPR2 (0.72) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL15242148 0.85 AVPR2 (0.75) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL12744541 0.84 AVPR2 (0.73) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL582867 0.84 AVPR2 (0.73) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL31108767 0.83 AVPR2 (0.76) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL12744542 0.83 AVPR2 (0.73) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL583090 0.82 AVPR2 (0.74) AVPR2AVPR1AABCB11HTR1ACHRM1
Hydrochloric Acid SCHEMBL583715 0.82 AVPR2 (0.67) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL3240170 0.81 AVPR2 (0.81) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL15790271 0.81 AVPR2 (0.81) AVPR2AVPR1AABCB11HTR1ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240309030-A1 BENZAZEPINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF SHANGHAI SENHUI MEDICINE CO., LTD. (CN) 2024-09-19 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-20240309030-A1 BENZAZEPINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF AVPR2, AVPR1B, AVPR1A AVPR2 1/4885AVPR1A 3/4885ABCB11 334/4885

“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.