SCHEMBL1572272

SCHEMBL1572272

Cn1nc(C(C)(C)C)cc1C(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1nc(N)sc1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.48
HCRTR2 O43614 14/20 0.48
CACNA1H O95180 1/20 0.37
GALR3 O60755 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNT1 Q5JUK3 1/20 0.36
NR2F2 P24468 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 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
SCHEMBL1572297 0.91 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1572357 0.84 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1571824 0.84 HCRTR1 (0.49) HCRTR1HCRTR2LMNA
SCHEMBL1571763 0.84 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1572006 0.83 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1572400 0.83 HCRTR1 (0.49) HCRTR1HCRTR2LMNA
SCHEMBL1572395 0.83 HCRTR1 (0.49) HCRTR1HCRTR2LMNA
SCHEMBL1572397 0.83 HCRTR1 (0.49) HCRTR1HCRTR2LMNA
SCHEMBL1571870 0.83 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1572577 0.83 HCRTR1 (0.51) 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 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 1/4885CACNA1H 547/4885

“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.