SCHEMBL4238682

SCHEMBL4238682

Cc1nc(C(=O)N2CCC(Nc3cnc4cc(Cl)ccc4n3)C2)c(-c2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.45
HCRTR2 O43614 17/20 0.45
JAK3 P52333 3/20 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
SCHEMBL4238672 1.00 HCRTR1 (0.45) HCRTR1HCRTR2JAK3
SCHEMBL8227805 0.97 HCRTR1 (0.45) HCRTR1HCRTR2JAK3
SCHEMBL4241693 0.91 HCRTR1 (0.49) HCRTR1HCRTR2JAK3
SCHEMBL4241690 0.91 HCRTR1 (0.49) HCRTR1HCRTR2JAK3
SCHEMBL4243932 0.89 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL4243925 0.89 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL3708656 0.80 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL4243256 0.80 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4243262 0.80 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4239234 0.77 CCNK (0.44) JAK3

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-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US claimed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US claimed
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 2/4885JAK3 1924/4885

“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.