SCHEMBL1765087

SCHEMBL1765087

Cc1nc(-c2cccc(F)c2C)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.49
RECQL P46063 2/20 0.45
TSHR P16473 1/20 0.45
SCN9A Q15858 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GRM5 P41594 1/20 0.43
ECE1 P42892 1/20 0.43
PKM P14618 1/20 0.43
OPRM1 P35372 1/20 0.43
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
PRMT6 Q96LA8 1/20 0.40
HTR3A P46098 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL13002992 0.86 MPL (0.49) MPLRECQLTSHRSCN9ANPC1
SCHEMBL8700796 0.86 MPL (0.66) MPLRECQLTSHRSCN9ANPC1
SCHEMBL1764777 0.82 RECQL (0.47) RECQLTSHRSCN9ANPC1RAB9A
SCHEMBL17688918 0.79 TSHR (0.53) MPLRECQLTSHRSCN9ANPC1
SCHEMBL7080057 0.78 SCN9A (0.52) MPLRECQLTSHRSCN9AKDM4E
SCHEMBL19195983 0.76 SCN9A (0.64) MPLRECQLTSHRSCN9ANPC1
SCHEMBL20340592 0.75 AR (0.56) TSHRNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1765097 0.75 TSHR (0.44) RECQLTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL11961418 0.75 HTR1B (0.44) MPLRECQLTSHRSCN9ANPC1
SCHEMBL8698425 0.74 ATP4A (0.57) RECQLTSHRSCN9ANPC1RAB9A

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 MPL 1788/4885RECQL 2808/4885TSHR 515/4885

“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.