SCHEMBL1572397

SCHEMBL1572397

Nc1nc(C(=O)N2[C@H](CNC(=O)C(F)(F)F)C[C@H]3C[C@@H]32)c(-c2cccc(F)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.49
HCRTR2 O43614 17/20 0.49
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
THPO P40225 1/20 0.35
LMNA P02545 1/20 0.34
PMP22 Q01453 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
SCHEMBL1572400 1.00 HCRTR1 (0.49) HCRTR1HCRTR2CYP1A2CYP3A4THPO
SCHEMBL1572395 1.00 HCRTR1 (0.49) HCRTR1HCRTR2CYP1A2CYP3A4THPO
SCHEMBL1571502 0.91 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1571504 0.91 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1571506 0.91 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1765092 0.90 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1571725 0.90 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1571724 0.90 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1571663 0.90 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1571793 0.87 HCRTR1 (0.45) HCRTR1HCRTR2CYP1A2CYP3A4THPO

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-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
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 1/4885CYP1A2 657/4885

“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.