SCHEMBL38347

SCHEMBL38347

Cc1cc(CNC(=O)C2CCN(C(=O)O[C@H]3CCC[C@H](C)C3)CC2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 4/20 0.46
TPSD1 Q9BZJ3 4/20 0.46
TPSG1 Q9NRR2 4/20 0.46
ERCC1 P07992 2/20 0.46
ERCC4 Q92889 2/20 0.46
PRSS1 P07477 3/20 0.43
F2 P00734 2/20 0.43
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL38334 1.00 TPSAB1 (0.46) TPSAB1TPSD1TPSG1ERCC1ERCC4
SCHEMBL14678611 1.00 TPSAB1 (0.46) TPSAB1TPSD1TPSG1ERCC1ERCC4
SCHEMBL14678612 1.00 TPSAB1 (0.46) TPSAB1TPSD1TPSG1ERCC1ERCC4
SCHEMBL38339 1.00 TPSAB1 (0.46) TPSAB1TPSD1TPSG1ERCC1ERCC4
SCHEMBL38412 0.92 ERCC1 (0.44) TPSAB1TPSD1TPSG1ERCC1ERCC4
SCHEMBL38431 0.92 ERCC1 (0.46) TPSAB1TPSD1TPSG1ERCC1ERCC4
SCHEMBL38359 0.89 ERCC1 (0.53) TPSAB1TPSD1TPSG1ERCC1ERCC4
SCHEMBL38878 0.89 ERCC1 (0.53) TPSAB1TPSD1TPSG1ERCC1ERCC4
SCHEMBL41877 0.89 ACHE (0.52) TPSAB1TPSD1TPSG1ERCC1ERCC4
SCHEMBL41878 0.89 ACHE (0.52) TPSAB1TPSD1TPSG1ERCC1ERCC4

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 TPSAB1 2026/4885TPSD1 1801/4885TPSG1 4035/4885

“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.