SCHEMBL135949

SCHEMBL135949

Cc1ccc(S(=O)(=O)n2c3c(c4ccc(Br)cc42)CN2CCCCC2C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR6 P50406 12/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PARP1 P09874 2/20 0.38

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
SCHEMBL132780 0.97 HTR6 (0.42) MCHR1KDM4EALDH1A1HTR6CNR1
SCHEMBL94407 0.78 MCHR1 (0.54) MCHR1HTR6CNR1
SCHEMBL94552 0.75 MCHR1 (0.71) MCHR1
SCHEMBL12927816 0.75 HTR6 (0.56) HTR6
SCHEMBL133185 0.74 MCHR1 (0.53) MCHR1CNR1
SCHEMBL1005802 0.74 HTR6 (0.46) HTR6
SCHEMBL3475930 0.73 HTR6 (0.50) HTR6
SCHEMBL16457204 0.72 HTR6 (0.41) HTR6
SCHEMBL3478091 0.71 HTR6 (0.45) HTR6
SCHEMBL3477660 0.71 KRAS (0.45) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618299-B2 Azinone-substituted azapolycycle MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-12-31 US disclosed
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-03-08 US disclosed
US-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 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 (2 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-20110003738-A1 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 MCHR1 1/4885KDM4E 1107/4885ALDH1A1 202/4885
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 MCHR1 1/4885KDM4E 1107/4885ALDH1A1 202/4885

“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.