SCHEMBL1764517

SCHEMBL1764517

NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ncsc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HCRTR1 O43613 13/20 0.36
HCRTR2 O43614 12/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
THPO P40225 1/20 0.36
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
VHL P40337 1/20 0.35

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
SCHEMBL1764519 1.00 KDM4E (0.48) KDM4EHCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL1572594 0.88 HCRTR1 (0.42) KDM4EHCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL1572422 0.85 HCRTR1 (0.40) KDM4EHCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL1572344 0.83 KDM4E (0.42) KDM4EHCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL1572338 0.83 KDM4E (0.42) KDM4EHCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL1572343 0.83 KDM4E (0.42) KDM4EHCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL1572510 0.81 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1572054 0.79 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL983877 0.78 KDM4E (0.46) KDM4EHCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL1572887 0.78 HCRTR1 (0.41) 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 2 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

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 KDM4E 1064/4885HCRTR1 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.