SCHEMBL268901

SCHEMBL268901

Cc1nc(C(=O)O)c(-c2ccc(F)c(F)c2F)s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.39
HCRTR2 O43614 15/20 0.39
NOTUM Q6P988 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 1/20 0.34
DHODH Q02127 1/20 0.33
TSPO P30536 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL1968436 0.88 HCAR2 (0.36) HCRTR1HCRTR2HCAR2NPC1RAB9A
SCHEMBL2056847 0.87 DHODH (0.45) HCRTR1HCRTR2DHODHTSPOOPRK1
SCHEMBL269323 0.81 HCRTR1 (0.53) HCRTR1HCRTR2NPC1RAB9AALOX5
SCHEMBL30775061 0.81 HCRTR1 (0.53) HCRTR1HCRTR2NPC1RAB9AALOX5
SCHEMBL270041 0.79 HCRTR1 (0.44) HCRTR1HCRTR2DHODH
SCHEMBL986346 0.78 HCRTR1 (0.43) HCRTR1HCRTR2NOTUMALOX5DHODH
SCHEMBL925363 0.76 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1968329 0.76 KDM4E (0.40) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL984476 0.75 KMO (0.49) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL2057220 0.75 HCRTR1 (0.43) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2

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 5 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 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
EP-2094685-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2008065626-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVESAS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2008-06-05 WO 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 HCRTR1 1/4885HCRTR2 2/4885NOTUM 2757/4885

“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.