SCHEMBL38412

SCHEMBL38412

Cc1cc(CNC(=O)C2CN(C(=O)O[C@H]3CCC[C@H](C)C3)C2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.44
ERCC4 Q92889 2/20 0.44
TPSAB1 Q15661 4/20 0.42
TPSD1 Q9BZJ3 4/20 0.42
TPSG1 Q9NRR2 4/20 0.42
PRSS1 P07477 3/20 0.39
F2 P00734 2/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL38347 0.92 TPSAB1 (0.46) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL14678611 0.92 TPSAB1 (0.46) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL14678612 0.92 TPSAB1 (0.46) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL38334 0.92 TPSAB1 (0.46) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL38339 0.92 TPSAB1 (0.46) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL13619458 0.89 TRPV1 (0.48) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL10104825 0.89 TRPV1 (0.48) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL42503 0.89 TRPV1 (0.48) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL11981735 0.89 TRPV1 (0.48) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL38814 0.83 ERCC1 (0.43) ERCC1ERCC4TPSAB1TPSD1TPSG1

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-8367835-B2 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-02-05 US disclosed
US-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 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-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HRH3, ARG1, CNR1 ERCC1 3649/4885ERCC4 4645/4885TPSAB1 2026/4885

“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.