SCHEMBL2365403

SCHEMBL2365403

CCOc1cccc(-n2ccc(=O)c(Cc3cccc(N(CC)C(=O)O)c3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
CACNA2D1 P54289 1/20 0.38
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.37
LIPC P11150 1/20 0.37
ACHE P22303 1/20 0.37
LIPE Q05469 1/20 0.37
NOTUM Q6P988 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DGAT1 O75907 1/20 0.34
SLC5A1 P13866 1/20 0.34

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
SCHEMBL2220848 0.92 TP53 (0.43) TP53RXFP1MEN1KMT2AACHE
SCHEMBL2220117 0.89 CYP2C9 (0.41) OPRM1CACNA2D1TP53RXFP1MEN1
SCHEMBL2222072 0.88 MEN1 (0.39) OPRM1CACNA2D1TP53RXFP1MEN1
SCHEMBL2220930 0.87 MEN1 (0.38) CACNA2D1TP53MEN1KMT2AMAPT
SCHEMBL13274671 0.84 GRM5 (0.39) CACNA2D1TP53MEN1KMT2ANOTUM
SCHEMBL13274535 0.84 TP53 (0.37) TP53RXFP1MEN1KMT2AMAPT
SCHEMBL2268157 0.84 TP53 (0.36) CACNA2D1TP53RXFP1MEN1KMT2A
SCHEMBL2220259 0.84 TP53 (0.36) TP53RXFP1MEN1KMT2AALDH1A1
SCHEMBL2221519 0.83 TP53 (0.35) CACNA2D1TP53RXFP1MEN1KMT2A
SCHEMBL2222704 0.83 OXTR (0.40) OPRM1TP53RXFP1PPARGPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 OPRM1 2711/4885CACNA2D1 4542/4885TP53 190/4885

“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.