SCHEMBL1058865

SCHEMBL1058865

CC(C)CN1C(=O)C(=O)c2cccc(F)c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.64
CHRM5 P08912 3/20 0.56
CHRM1 P11229 2/20 0.48
ALDH1A1 P00352 7/20 0.48
ALDH3A1 P30838 4/20 0.48
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
CASP3 P42574 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL12930264 0.87 CHRM5 (0.52) TRPA1CHRM5CHRM1ALDH1A1ALDH3A1
SCHEMBL12930259 0.87 CHRM5 (0.52) TRPA1CHRM5CHRM1ALDH1A1ALDH3A1
SCHEMBL12930241 0.85 TRPA1 (0.55) TRPA1CHRM5CHRM1ALDH1A1ALDH3A1
SCHEMBL12930261 0.85 CHRM5 (0.53) TRPA1CHRM5CHRM1ALDH1A1ALDH3A1
SCHEMBL5001267 0.82 CHRM5 (0.60) TRPA1CHRM5CHRM1ALDH1A1ALDH3A1
SCHEMBL12930236 0.81 TRPA1 (0.64) TRPA1CHRM5ALDH1A1ALDH3A1HSD17B10
SCHEMBL6283885 0.80 TRPA1 (0.46) TRPA1CHRM1ALDH1A1ALDH3A1HSD17B10
SCHEMBL1061400 0.78 TRPA1 (1.00) TRPA1
SCHEMBL1061402 0.78 TRPA1 (1.00) TRPA1
SCHEMBL5001336 0.78 CHRM5 (0.58) CHRM5CHRM1ALDH1A1ALDH3A1HSD17B10

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-20110009379-A1 INDOLINONE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-01-13 US disclosed
US-20110009379-A1 INDOLINONE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-01-13 US disclosed
EP-2261206-A1 INDOLINONE COMPOUND Astellas Pharma Inc. (JP) 2010-12-15 EP disclosed
WO-2009123080-A1 INDOLINONE COMPOUND アステラス製薬株式会社 (JP) 2009-10-08 WO 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-20110009379-A1 INDOLINONE COMPOUND TRPA1, TRPV1, TRPV6 TRPA1 1/4885CHRM5 318/4885CHRM1 320/4885

“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.