SCHEMBL3014848

SCHEMBL3014848

Cc1nc2sccn2c1C(=O)NC[C@@H]1CCCCN1C(=O)c1nc(-c2ccccc2F)sc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.53
HCRTR2 O43614 18/20 0.53
TSPO P30536 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL3011851 0.98 HCRTR1 (0.51) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3006496 0.95 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3002255 0.93 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3003390 0.93 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2998136 0.93 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3011036 0.93 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3012087 0.91 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3007577 0.91 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3006442 0.91 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3012084 0.91 HCRTR1 (0.53) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288411-B2 Pyrrolidines and piperidines as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US claimed
US-20100197733-A1 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-05 US claimed
US-8288411-B2 Pyrrolidines and piperidines as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20100197733-A1 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-05 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-20100197733-A1 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885TSPO 666/4885

“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.