SCHEMBL132780

SCHEMBL132780

Cc1ccc(S(=O)(=O)n2c3c(c4ccc(Br)cc42)CN2CCCC2C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.42
MCHR1 Q99705 4/20 0.42
PARP1 P09874 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL135949 0.97 MCHR1 (0.42) HTR6MCHR1PARP1KDM4EALDH1A1
SCHEMBL133185 0.78 MCHR1 (0.53) MCHR1CNR1
SCHEMBL12927816 0.76 HTR6 (0.56) HTR6
SCHEMBL1005802 0.74 HTR6 (0.46) HTR6
SCHEMBL94407 0.74 MCHR1 (0.54) HTR6MCHR1CNR1
SCHEMBL3475930 0.74 HTR6 (0.50) HTR6
SCHEMBL94552 0.73 MCHR1 (0.71) MCHR1
SCHEMBL16457204 0.72 HTR6 (0.41) HTR6
SCHEMBL3478091 0.72 HTR6 (0.45) HTR6
SCHEMBL3477660 0.72 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 HTR6 75/4885MCHR1 1/4885PARP1 2268/4885
US-20120058940-A9 AZINONE-SUBSTITUTED AZAPOLYCYCLE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 HTR6 75/4885MCHR1 1/4885PARP1 2268/4885

“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.