SCHEMBL4830480

SCHEMBL4830480

Cc1nc(C(=O)N2CCN(C)CC2C(N)=O)c(-c2ccc(F)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.51
HCRTR2 O43614 15/20 0.51

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
SCHEMBL1398904 0.87 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL4830482 0.85 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL4822316 0.84 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL20827759 0.84 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3312167 0.81 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2056988 0.79 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1398845 0.78 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3343784 0.78 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1027554 0.78 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2799722 0.78 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365077-B2 Piperazine bis-amide derivatives and their use as antagonists of the orexin receptor SMITHKLINE BEECHAM P.L.C. (GB) 2008-04-29 US claimed
US-7365077-B2 Piperazine bis-amide derivatives and their use as antagonists of the orexin receptor SMITHKLINE BEECHAM P.L.C. (GB) 2008-04-29 US disclosed
US-20060252769-A1 Piperazine bis-amide derivatives and their use as antagonists of the orexin receptor SMTIHKLINE BEECHAM P.L.C. (GB) 2006-11-09 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-20060252769-A1 Piperazine bis-amide derivatives and their use as antagonists of the orexin receptor HCRTR2, HCRTR1, NPSR1 HCRTR1 2/4885HCRTR2 1/4885

“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.