SCHEMBL1029601

SCHEMBL1029601

Cc1nc(C(=O)N2CCCC(N)C2)c(-c2ccccc2F)s1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.60
HCRTR2 O43614 15/20 0.60
TSPO P30536 1/20 0.53
OPRK1 P41145 1/20 0.53
HTR2B P41595 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
PIM1 P11309 2/20 0.49
PIM3 Q86V86 2/20 0.49
PIM2 Q9P1W9 2/20 0.49
PADI4 Q9UM07 2/20 0.44
KDM1A O60341 1/20 0.43

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
SCHEMBL1030317 0.89 HCRTR1 (0.49) HCRTR1HCRTR2PADI4
SCHEMBL1029831 0.86 HCRTR1 (0.51) HCRTR1HCRTR2KDM1A
SCHEMBL1032006 0.85 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1027555 0.84 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1029566 0.82 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1029853 0.82 HCRTR1 (0.59) HCRTR1HCRTR2KDM1A
SCHEMBL1028665 0.81 HCRTR1 (0.49) HCRTR1HCRTR2KDM1A
SCHEMBL1028780 0.81 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1029416 0.80 HCRTR1 (0.51) HCRTR1HCRTR2PADI4KDM1A
SCHEMBL1671280 0.80 HCRTR1 (0.71) HCRTR1HCRTR2TSPOOPRK1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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 2/4885TSPO 216/4885

“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.