SCHEMBL15745372

SCHEMBL15745372

CCCNc1ccc2c(ccn2-c2nnc(C)o2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.40
CASR P41180 1/20 0.33
RAB9A P51151 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRD4 O60885 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
BRPF1 P55201 1/20 0.32
NPC1 O15118 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PARG Q86W56 2/20 0.31
APP P05067 2/20 0.31
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19485704 0.89 DGAT1 (0.41) DGAT1RAB9ABRD4MAOAMAOB
SCHEMBL15733050 0.82 DGAT1 (0.54) DGAT1
SCHEMBL15745368 0.75 DGAT1 (0.39) DGAT1CASRRAB9ACYP1A2CYP2C19
SCHEMBL15732923 0.75 ROCK1 (0.45) DGAT1RAB9AMAOBNPC1ALDH1A1
SCHEMBL16167708 0.74 DHODH (0.44) RAB9ABRD4BRPF1NPC1KDM4E
SCHEMBL16167710 0.71 PTK2 (0.39) CASRRAB9ACYP1A2CYP2C19NPC1
SCHEMBL16167701 0.69 EGFR (0.50) RAB9AMAOAMAOBNPC1
SCHEMBL16167711 0.68 STIM1 (0.36) DGAT1MAPT
SCHEMBL17250107 0.67 KCNH2 (0.37) DGAT1CASRMAPT
SCHEMBL15745367 0.66 PIM1 (0.48) DGAT1SMN1; SMN2MEN1KMT2A

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
US-20180099979-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2018-04-12 US disclosed
US-9879031-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2018-01-30 US disclosed
US-20170305928-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2017-10-26 US disclosed
US-9796729-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2017-10-24 US disclosed
US-9738658-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2017-08-22 US disclosed
US-20170081342-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2017-03-23 US disclosed
US-20150322082-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-11-12 US disclosed
US-20140148437-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-29 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 (5 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-20180099979-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT DGAT1 1/4885CASR 4787/4885RAB9A 2280/4885
US-20170081342-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DGAT1 1/4885CASR 4582/4885RAB9A 4045/4885
US-20140148437-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DGAT1 1/4885CASR 4582/4885RAB9A 4045/4885
US-20170305928-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT DGAT1 1/4885CASR 4706/4885RAB9A 2292/4885
US-20150322082-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DGAT1 1/4885CASR 4582/4885RAB9A 4045/4885

“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.