SCHEMBL3149509

SCHEMBL3149509

COC(=O)[C@@H](Cc1ccc(Cl)cc1)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.46
AVPR1A P37288 5/20 0.43
LMNA P02545 1/20 0.43
USP14 P54578 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR1 P32246 1/20 0.42
KLK5 Q9Y337 1/20 0.41
DRD2 P14416 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41

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
SCHEMBL3157224 1.00 CACNA1B (0.46) CACNA1BAVPR1ALMNAUSP14PPARG
SCHEMBL3149431 0.90 PPARG (0.50) CACNA1BAVPR1ALMNAUSP14PPARG
SCHEMBL3149424 0.90 PPARG (0.50) CACNA1BAVPR1ALMNAUSP14PPARG
Lithium Ion SCHEMBL5466184 0.85 PPARG (0.46) CACNA1BAVPR1ALMNAUSP14PPARG
SCHEMBL3147740 0.84 YAP1 (0.54) LMNAKMT2AL3MBTL1GAA
SCHEMBL655029 0.84 YAP1 (0.54) LMNAKMT2AL3MBTL1GAA
SCHEMBL654273 0.80 YAP1 (0.50) LMNAKMT2AL3MBTL1MAPK8GAA
SCHEMBL1744149 0.80 KLK5 (0.57) CACNA1BPPARGPPARAKLK5GAA
SCHEMBL1744150 0.80 KLK5 (0.57) CACNA1BPPARGPPARAKLK5GAA
SCHEMBL24011617 0.76 EPHX1 (0.64) CACNA1BLMNAUSP14KMT2AL3MBTL1

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
EP-1773796-B1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-03-03 EP disclosed
US-20070149562-A1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-28 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-20070149562-A1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF MC5R, MC4R, OPRD1 CACNA1B 2551/4885AVPR1A 14/4885LMNA 4063/4885

“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.