SCHEMBL3000689

SCHEMBL3000689

Cc1nc2sccn2c1C(=O)NC[C@@H]1CCCCN1C(=O)c1nc(-c2cccc(F)c2)sc1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 20/20 0.55

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
SCHEMBL3010036 0.98 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2999534 0.95 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL3003390 0.94 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3002096 0.94 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2998136 0.94 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3006342 0.93 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3007540 0.93 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL3007627 0.93 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3009869 0.93 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3006442 0.92 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 2/4885

“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.