SCHEMBL3392829

SCHEMBL3392829

C[C@@H]1CN(c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)C(=O)c2c(Cl)ncnc2O1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.83

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
SCHEMBL3392833 1.00 DGAT1 (0.83) DGAT1
SCHEMBL1424515 0.91 DGAT1 (1.00) DGAT1
SCHEMBL1424417 0.91 DGAT1 (1.00) DGAT1
SCHEMBL1424806 0.91 DGAT1 (0.69) DGAT1
SCHEMBL1424805 0.91 DGAT1 (0.69) DGAT1
SCHEMBL3286765 0.85 DGAT1 (0.61) DGAT1
SCHEMBL1424568 0.85 DGAT1 (0.61) DGAT1
SCHEMBL3287325 0.84 DGAT1 (0.83) DGAT1
SCHEMBL1424335 0.84 DGAT1 (0.86) DGAT1
SCHEMBL1424333 0.84 DGAT1 (0.86) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 US disclosed
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
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER INC 2009-02-05 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 (2 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-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 DGAT1 1/4885
US-20090036425-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.