SCHEMBL14062000

SCHEMBL14062000

C=CCC1(F)CCc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 3/20 0.38
▸ DRD2 P14416 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ DGAT1 O75907 10/20 0.35
▸ PGR P06401 1/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL14061907 0.84 TDP2 (0.42) TDP2DGAT1
SCHEMBL14061637 0.83 DGAT1 (0.39) TDP2DRD2HTR2AHTR2CHTR2B
SCHEMBL14137110 0.82 TDP2 (0.36) TDP2DRD2HTR2AHTR2CHTR2B
SCHEMBL14137101 0.80 DGAT1 (0.38) TDP2DRD2HTR2AHTR2CHTR2B
SCHEMBL14137109 0.72 DGAT1 (0.49) DGAT1
SCHEMBL14062117 0.70 DGAT1 (0.42) TDP2DRD2HTR2ADGAT1PGR
SCHEMBL14061930 0.69 DGAT1 (0.48) DGAT1
SCHEMBL14061988 0.68 DGAT1 (0.50) DGAT1MAPTRAB9ASMN1; SMN2
SCHEMBL17211812 0.68 — —
SCHEMBL14137102 0.68 HSD17B1 (0.63) TDP2PGRMAPT

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 3936/4885DRD2 2863/4885HTR2A 3785/4885

“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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