SCHEMBL2639700

SCHEMBL2639700

Nc1ncnc2c1C(=O)N(c1ccc(C3CC[CH]CC3)cc1)CCO2

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.79

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
SCHEMBL13258724 0.91 DGAT1 (0.79) DGAT1
SCHEMBL3393990 0.89 DGAT1 (0.76) DGAT1
SCHEMBL1424388 0.86 DGAT1 (0.79) DGAT1
SCHEMBL3395324 0.86 DGAT1 (0.84) DGAT1
SCHEMBL3393074 0.86 DGAT1 (0.81) DGAT1
SCHEMBL3393078 0.86 DGAT1 (0.81) DGAT1
SCHEMBL3393256 0.86 DGAT1 (1.00) DGAT1
SCHEMBL17907300 0.85 DGAT1 (0.70) DGAT1
SCHEMBL1424761 0.85 DGAT1 (1.00) DGAT1
Pf-04620110 SCHEMBL1425038 0.85 DGAT1 (1.00) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4629808-B2 2011-02-09 JP claimed
JP-2010535190-A 2010-11-18 JP claimed
EP-2185567-A2 SUBSTITUTED BICYCLOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2010-05-19 EP claimed
WO-2009016462-A2 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2009-02-05 WO claimed
WO-2010086820-A1 4-AMINO-5-OXO-7, 8-DIHYDROPYRIMIDO [5,4-F] [1,4] OXAZEPIN-6 (5H) -YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF PFIZER INC. (US) 2010-08-05 WO disclosed
EP-2185567-A2 SUBSTITUTED BICYCLOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2010-05-19 EP disclosed
US-20090137551-A1 Substituted Bicyclolactam Compounds PFIZER INC 2009-05-28 US disclosed
WO-2009016462-A2 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2009-02-05 WO 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-20090137551-A1 Substituted Bicyclolactam Compounds CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CXCR2 DGAT1 4238/4885

“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.