SCHEMBL4244733

SCHEMBL4244733

Cc1nc(C(=O)N2CCC(N)C2)c(-c2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.56
HCRTR2 O43614 20/20 0.56

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
SCHEMBL3661734 1.00 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1029853 0.84 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1029566 0.83 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1027555 0.82 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1029416 0.82 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1028780 0.81 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1032006 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1029545 0.81 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1028198 0.80 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1028665 0.79 HCRTR1 (0.49) 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
CN-101903372-B Heteroaryl derivatives as orexin receptor antagonists HOFFMANN LA ROCHE 2014-06-18 CN disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A 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.