SCHEMBL38846

SCHEMBL38846

C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CC(C(=O)NCc2ccc(O)c(C)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.39
ERCC4 Q92889 2/20 0.39
TRPV1 Q8NER1 2/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL43706 0.90 TRPV1 (0.50) TRPV1ALDH1A1HPGDALOX15RAB9A
SCHEMBL42722 0.90 TRPV1 (0.50) TRPV1ALDH1A1HPGDALOX15RAB9A
SCHEMBL38821 0.86 TRPV1 (0.47) ERCC1ERCC4TRPV1KMT2AMEN1
SCHEMBL38354 0.86 TRPV1 (0.47) ERCC1ERCC4TRPV1KMT2AMEN1
SCHEMBL38412 0.82 ERCC1 (0.44) ERCC1ERCC4KMT2AMEN1ALDH1A1
SCHEMBL38410 0.78 ERCC1 (0.43) ERCC1ERCC4KMT2AMEN1ALDH1A1
SCHEMBL38403 0.76 ERCC1 (0.42) ERCC1ERCC4KMT2AMEN1ALDH1A1
SCHEMBL38814 0.76 ERCC1 (0.43) ERCC1ERCC4KMT2AMEN1ALDH1A1
SCHEMBL38815 0.76 ERCC1 (0.43) ERCC1ERCC4KMT2AMEN1ALDH1A1
SCHEMBL11897378 0.76 TRPV1 (0.60) TRPV1KMT2AMEN1RAB9ATP53

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 4645/4885TRPV1 247/4885

“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.