SCHEMBL1764772

SCHEMBL1764772

Cc1cc(C)cc(-c2csc(C)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 3/20 0.58
TSHR P16473 1/20 0.58
GAA P10253 4/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 3/20 0.55
POLB P06746 2/20 0.55
HPGD P15428 2/20 0.55
ESR2 Q92731 1/20 0.55
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ROCK2 O75116 1/20 0.47
PIM1 P11309 1/20 0.47
GSK3B P49841 1/20 0.47
AURKB Q96GD4 1/20 0.47
GFER P55789 1/20 0.47
HTT P42858 2/20 0.47
PRMT6 Q96LA8 1/20 0.46

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
SCHEMBL17188743 0.84 CYP1A1 (0.58) RECQLTSHRGAAALDH1A1MAPT
SCHEMBL8337622 0.82 GAA (0.64) RECQLTSHRGAAALDH1A1MAPT
SCHEMBL21230568 0.81 GAA (0.53) RECQLTSHRGAAALDH1A1MAPT
SCHEMBL27985361 0.81 LTA4H (0.54) RECQLTSHRALDH1A1MAPTKDM4E
SCHEMBL8241136 0.80 GRM5 (0.49) RECQLTSHRGAAALDH1A1MAPT
SCHEMBL8257849 0.80 RECQL (0.70) RECQLTSHRGAAALDH1A1MAPT
SCHEMBL7229526 0.79 GAA (0.51) RECQLTSHRGAAALDH1A1MAPT
SCHEMBL2615402 0.78 GAA (0.65) RECQLTSHRGAAALDH1A1MAPT
SCHEMBL24359598 0.78 GAA (0.52) RECQLTSHRGAAALDH1A1MAPT
SCHEMBL19626573 0.78 GAA (0.50) RECQLTSHRGAAALDH1A1MAPT

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 RECQL 2808/4885TSHR 515/4885GAA 3257/4885

“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.