SCHEMBL38831

SCHEMBL38831

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.42
ERCC4 Q92889 2/20 0.42
RAB9A P51151 1/20 0.40
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 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
SCHEMBL38357 1.00 ERCC1 (0.42) ERCC1ERCC4RAB9ATPSAB1TPSD1
SCHEMBL42766 0.89 TRPV1 (0.47) ERCC1ERCC4RAB9AALDH1A1KDM4E
SCHEMBL10105094 0.89 TRPV1 (0.47) ERCC1ERCC4RAB9AALDH1A1KDM4E
SCHEMBL13619643 0.89 TRPV1 (0.47) ERCC1ERCC4RAB9AALDH1A1KDM4E
SCHEMBL38815 0.87 ERCC1 (0.43) ERCC1ERCC4RAB9ATPSAB1TPSD1
SCHEMBL38814 0.87 ERCC1 (0.43) ERCC1ERCC4RAB9ATPSAB1TPSD1
SCHEMBL38410 0.87 ERCC1 (0.43) ERCC1ERCC4RAB9ATPSAB1TPSD1
SCHEMBL38208 0.84 KMT2A (0.49) ERCC1ERCC4RAB9ATPSAB1TPSD1
SCHEMBL38830 0.84 KMT2A (0.49) ERCC1ERCC4RAB9ATPSAB1TPSD1
SCHEMBL38403 0.84 ERCC1 (0.42) ERCC1ERCC4RAB9ATPSAB1TPSD1

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 4645/4885RAB9A 1528/4885

“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.