SCHEMBL38337

SCHEMBL38337

Cc1cc(CNC(=O)C2CCN(C(=O)O[C@H]3CC[C@H](C(C)(C)C)CC3)CC2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.46
ERCC4 Q92889 2/20 0.46
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
TPSAB1 Q15661 2/20 0.43
TPSD1 Q9BZJ3 2/20 0.43
TPSG1 Q9NRR2 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 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
SCHEMBL38799 1.00 ERCC1 (0.46) ERCC1ERCC4ACHEBACE1TPSAB1
SCHEMBL38436 0.94 ERCC1 (0.43) ERCC1ERCC4ACHEBACE1TPSAB1
SCHEMBL38452 0.94 ERCC1 (0.43) ERCC1ERCC4ACHEBACE1TPSAB1
SCHEMBL38814 0.91 ERCC1 (0.43) ERCC1ERCC4ACHEBACE1TPSAB1
SCHEMBL38815 0.91 ERCC1 (0.43) ERCC1ERCC4ACHEBACE1TPSAB1
SCHEMBL38335 0.90 ERCC1 (0.48) ERCC1ERCC4ACHEBACE1TPSAB1
SCHEMBL38328 0.90 ERCC1 (0.48) ERCC1ERCC4ACHEBACE1TPSAB1
SCHEMBL38359 0.89 ERCC1 (0.53) ERCC1ERCC4ACHEBACE1TPSAB1
SCHEMBL38878 0.89 ERCC1 (0.53) ERCC1ERCC4ACHEBACE1TPSAB1
SCHEMBL47272 0.89 ACHE (0.53) ERCC1ERCC4ACHEBACE1TDP1

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 4645/4885ACHE 618/4885

“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.