SCHEMBL2969065

SCHEMBL2969065

COc1cc(CC(=O)N[C@H]2CC[C@H](CC3CC3)CC2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
TRPV1 Q8NER1 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX5 P09917 1/20 0.48
OR51E2 Q9H255 1/20 0.48
GFER P55789 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2969069 1.00 SIGMAR1 (0.55) SIGMAR1TDP1ALDH1A1GAATSHR
SCHEMBL2977055 0.96 EPHX2 (0.52) SIGMAR1TDP1ALDH1A1GAATSHR
SCHEMBL2969514 0.96 SIGMAR1 (0.52) SIGMAR1TDP1ALDH1A1GAATSHR
SCHEMBL2969518 0.96 SIGMAR1 (0.52) SIGMAR1TDP1ALDH1A1GAATSHR
SCHEMBL2977052 0.96 EPHX2 (0.52) SIGMAR1TDP1ALDH1A1GAATSHR
SCHEMBL2978204 0.93 TRPV1 (0.58) SIGMAR1TDP1ALDH1A1GAATSHR
SCHEMBL2978208 0.93 TRPV1 (0.58) SIGMAR1TDP1ALDH1A1GAATSHR
SCHEMBL2962194 0.90 TRPV1 (0.62) SIGMAR1TDP1ALDH1A1GAATSHR
SCHEMBL2962196 0.90 TRPV1 (0.62) SIGMAR1TDP1ALDH1A1GAATSHR
SCHEMBL2967705 0.89 TRPV1 (0.55) SIGMAR1TDP1ALDH1A1GAATSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767854-B2 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-03 US disclosed
US-7767854-B2 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-03 US disclosed
US-7767854-B2 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-03 US disclosed
US-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-26 US disclosed
EP-1884510-A1 N-SUBSTITUTED PHENYLACETAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-02-06 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-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same HRH4, HRH2, CNR2 SIGMAR1 84/4885TDP1 4061/4885ALDH1A1 321/4885

“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.