SCHEMBL38815

SCHEMBL38815

Cc1cc(CNC(=O)C2CN(C(=O)O[C@H]3CC[C@H](C(C)(C)C)CC3)C2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.43
ERCC4 Q92889 2/20 0.43
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.38
CYP19A1 P11511 1/20 0.38
S1PR5 Q9H228 2/20 0.38
ENPP2 Q13822 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
EPHX2 P34913 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
ACHE P22303 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
SCHEMBL38814 1.00 ERCC1 (0.43) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL38436 0.93 ERCC1 (0.43) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL38452 0.93 ERCC1 (0.43) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL38799 0.91 ERCC1 (0.46) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL38337 0.91 ERCC1 (0.46) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL42564 0.89 TRPV1 (0.47) ERCC1ERCC4ALDH1A1RAB9AMEN1
SCHEMBL41897 0.89 TRPV1 (0.47) ERCC1ERCC4ALDH1A1RAB9AMEN1
SCHEMBL41898 0.89 TRPV1 (0.47) ERCC1ERCC4ALDH1A1RAB9AMEN1
SCHEMBL38410 0.88 ERCC1 (0.43) ERCC1ERCC4TPSAB1TPSD1TPSG1
SCHEMBL38831 0.87 ERCC1 (0.42) 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.