SCHEMBL596069

SCHEMBL596069

Nc1ccc(OC2CCN(C(=O)O)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.43
HSD11B1 P28845 3/20 0.42
HMOX1 P09601 1/20 0.41
NAMPT P43490 6/20 0.41
PIK3CD O00329 4/20 0.40
PIK3CA P42336 4/20 0.40
GPR119 Q8TDV5 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
ACACB O00763 1/20 0.39
RIPK1 Q13546 1/20 0.39
KDM5A P29375 1/20 0.39

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
SCHEMBL596068 1.00 LIPG (0.43) LIPGHSD11B1HMOX1NAMPTPIK3CD
SCHEMBL16973134 1.00 LIPG (0.43) LIPGHSD11B1HMOX1NAMPTPIK3CD
SCHEMBL16973003 0.92 CYP4A11 (0.41) LIPGHSD11B1NAMPTPIK3CDACACB
SCHEMBL16973181 0.92 NAMPT (0.45) NAMPTGPR119
SCHEMBL20137537 0.84 LIPE (0.45) LIPGHSD11B1HMOX1NAMPT
SCHEMBL7107806 0.84 MMP1 (0.47) LIPGHSD11B1HMOX1NAMPTGPR119
SCHEMBL18077130 0.84 LIPE (0.45) LIPGHSD11B1HMOX1NAMPT
SCHEMBL7105199 0.84 MMP1 (0.47) LIPGHSD11B1HMOX1NAMPTGPR119
SCHEMBL16980514 0.83 GPR119 (0.58) PIK3CDPIK3CAGPR119PIK3CBPIK3CG
SCHEMBL3401880 0.83 GPR119 (0.58) PIK3CDPIK3CAGPR119PIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT LIPG 52/4885HSD11B1 520/4885HMOX1 4208/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT LIPG 52/4885HSD11B1 520/4885HMOX1 4208/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT LIPG 52/4885HSD11B1 520/4885HMOX1 4208/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT LIPG 52/4885HSD11B1 520/4885HMOX1 4208/4885

“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.