SCHEMBL269121

SCHEMBL269121

Cc1ccc(-c2ccccc2C(=O)N2CCCC(Nc3ncc(Br)cn3)C2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HCRTR1 O43613 2/20 0.48
KMT2A Q03164 3/20 0.47
GFER P55789 5/20 0.46
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
RAB9A P51151 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
SCHEMBL269120 1.00 POLB (0.48) POLBHCRTR1KMT2AGFERCCNK
SCHEMBL1141606 0.90 HCRTR1 (0.49) POLBHCRTR1KMT2AGFERALOX5AP
SCHEMBL1141607 0.90 HCRTR1 (0.49) POLBHCRTR1KMT2AGFERALOX5AP
SCHEMBL268593 0.88 TSHR (0.51) HCRTR1KMT2ACCNKCDK12ALOX5AP
SCHEMBL268594 0.88 TSHR (0.51) HCRTR1KMT2ACCNKCDK12ALOX5AP
SCHEMBL268633 0.86 GFER (0.50) KMT2AGFERCCNKCDK12
SCHEMBL271269 0.86 HCRTR2 (0.48) HCRTR1KMT2AGFERCCNKCDK12
SCHEMBL271268 0.86 HCRTR2 (0.48) HCRTR1KMT2AGFERCCNKCDK12
SCHEMBL268632 0.86 GFER (0.50) KMT2AGFERCCNKCDK12
SCHEMBL1141644 0.83 GFER (0.49) POLBHCRTR1KMT2AGFERCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US claimed
EP-2094685-B1 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-19 EP claimed
US-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-18 US claimed
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
EP-2094685-B1 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-19 EP disclosed
US-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-18 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-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS HCRTR1, HCRTR2, NPY1R POLB 4582/4885HCRTR1 1/4885KMT2A 1318/4885

“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.