SCHEMBL38354

SCHEMBL38354

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
SERPINE1 P05121 5/20 0.42
CYP19A1 P11511 2/20 0.42
P2RX4 Q99571 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
EPHX1 P07099 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
MITF O75030 1/20 0.37
XBP1 P17861 1/20 0.37

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
SCHEMBL38821 1.00 TRPV1 (0.47) TRPV1SERPINE1CYP19A1P2RX4ERCC1
SCHEMBL46922 0.90 TRPV1 (0.60) TRPV1SERPINE1CYP19A1NPSR1TSHR
SCHEMBL43421 0.90 TRPV1 (0.60) TRPV1SERPINE1CYP19A1NPSR1TSHR
SCHEMBL43641 0.90 TRPV1 (0.60) TRPV1SERPINE1CYP19A1NPSR1TSHR
SCHEMBL11897378 0.90 TRPV1 (0.60) TRPV1SERPINE1CYP19A1NPSR1TSHR
SCHEMBL38846 0.86 ERCC1 (0.39) TRPV1ERCC1ERCC4ALDH1A1MAPT
SCHEMBL26064394 0.84 TRPV1 (0.53) TRPV1SERPINE1CYP19A1P2RX4ALDH1A1
SCHEMBL38412 0.82 ERCC1 (0.44) ERCC1ERCC4ALDH1A1HPGDKDM4E
SCHEMBL38831 0.81 ERCC1 (0.42) ERCC1ERCC4ALDH1A1HPGDKDM4E
SCHEMBL38357 0.81 ERCC1 (0.42) ERCC1ERCC4ALDH1A1HPGDKDM4E

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 TRPV1 247/4885SERPINE1 4612/4885CYP19A1 1119/4885

“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.