SCHEMBL2790633

SCHEMBL2790633

COCC(C)Nc1ccc(N)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.38
MCHR1 Q99705 3/20 0.38
ALPL P05186 1/20 0.36
TP53 P04637 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 3/20 0.36

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
SCHEMBL4951647 0.78 ALDH1A1 (0.47) HCAR3TP53HSD17B10ALDH1A1HSP90AA1
SCHEMBL24615886 0.77 CHEK1 (0.41) HCAR3TRPM8TP53HSD17B10ALDH1A1
SCHEMBL2483169 0.77 NOS3 (0.45) ALPLHSD17B10ALDH1A1CYP3A4THRB
Hydrochloric Acid SCHEMBL4953931 0.76 ALDH1A1 (0.45) HCAR3TP53HSD17B10ALDH1A1HSP90AA1
SCHEMBL28051786 0.76 HCAR3 (0.43) HCAR3TRPM8TP53HSD17B10ALDH1A1
SCHEMBL2483964 0.73 KCNH3 (0.48) HCAR3ALPLALDH1A1CYP3A4SMN1; SMN2
SCHEMBL4970897 0.71 HCAR3 (0.61) HCAR3TRPM8TP53ALDH1A1TDP1
SCHEMBL14028547 0.71 ALDH1A1 (0.42) HCAR3TP53HSD17B10ALDH1A1HSP90AA1
SCHEMBL24375405 0.70 BTK (0.34) MCHR1TP53HSD17B10ALDH1A1HSP90AA1
SCHEMBL144972 0.70 TDP1 (0.52) HCAR3TRPM8TP53HSD17B10ALDH1A1

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
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP disclosed
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors BOLIN DAVID ROBERT 2010-07-01 US disclosed
US-7714126-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO disclosed
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. 2007-05-31 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 (3 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-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT HCAR3 3114/4885TRPM8 3782/4885MCHR1 4616/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT HCAR3 3114/4885TRPM8 3782/4885MCHR1 4616/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT HCAR3 3114/4885TRPM8 3782/4885MCHR1 4616/4885

“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.