SCHEMBL1572097

SCHEMBL1572097

Cc1ncc(C(=O)N2[C@H](CNC(=O)c3c(C)nc4sccn34)C[C@@H]3C[C@@H]32)c(-c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.61
HCRTR2 O43614 5/20 0.61
HSD11B1 P28845 1/20 0.39
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL1572160 1.00 HCRTR1 (0.61) HCRTR1HCRTR2HSD11B1HSD17B10MAPK1
SCHEMBL2127076 0.85 HCRTR1 (0.45) HCRTR1HCRTR2HSD11B1
SCHEMBL1341207 0.83 HCRTR1 (0.57) HCRTR1HCRTR2HSD11B1
SCHEMBL1572023 0.81 HCRTR1 (0.60) HCRTR1HCRTR2MAPK1
SCHEMBL1572277 0.81 HCRTR1 (0.60) HCRTR1HCRTR2MAPK1
SCHEMBL1571443 0.81 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1572087 0.79 HCRTR2 (0.58) HCRTR1HCRTR2
SCHEMBL1571863 0.79 HCRTR1 (0.58) HCRTR1HCRTR2MAPK1
SCHEMBL1571853 0.79 HCRTR2 (0.58) HCRTR1HCRTR2
SCHEMBL1572123 0.79 HCRTR1 (0.58) HCRTR1HCRTR2MAPK1

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-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 US claimed
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 EP claimed
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 US disclosed
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 EP 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-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 HCRTR1 2/4885HCRTR2 1/4885HSD11B1 558/4885

“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.