SCHEMBL14059679

SCHEMBL14059679

COC1CCc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 3/20 0.39
▸ SLC6A3 Q01959 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ ACHE P22303 4/20 0.35
▸ APP P05067 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ BCHE P06276 3/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ S100A4 P26447 1/20 0.35

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
SCHEMBL14060277 0.81 TDP2 (0.41) TDP2MAPTPGRACHEDGAT1
SCHEMBL14062117 0.75 DGAT1 (0.42) TDP2PGRDRD2HTR2AACHE
SCHEMBL14062006 0.74 DGAT1 (0.47) MAPTDGAT1
SCHEMBL14062072 0.73 ALDH1A1 (0.39) MAPTDGAT1
SCHEMBL14137069 0.73 DGAT1 (0.41) MAPTDRD2HTR2ADGAT1
SCHEMBL22867686 0.73 CYP24A1 (0.55) DRD2HTR2AACHE
SCHEMBL14137102 0.72 HSD17B1 (0.63) TDP2MAPTPGRMAOBPTPRC
SCHEMBL7462285 0.72 ALDH1A1 (0.43) —
SCHEMBL1097849 0.69 TDP2 (0.46) TDP2MAPTACHEBCHEPTPRC
SCHEMBL367345 0.69 KDM4E (0.55) MAPTDRD2HTR2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723332-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-03-02 — — EP disclosed
EP-2723332-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-03-02 — — EP disclosed
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 — — US disclosed
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 — — US disclosed
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 — — US disclosed
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 — — US disclosed
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 — — US disclosed
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 — — US disclosed
EP-2723332-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-04-30 — — EP disclosed
WO-2012162127-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-11-29 — — WO disclosed
WO-2012162127-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-11-29 — — 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-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors DGAT1, DGAT2, LCAT TDP2 3936/4885SLC6A3 3184/4885MAPT 1704/4885

“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.

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