SCHEMBL2790993

SCHEMBL2790993

CN(CCO)c1ccc(N)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HCAR3 P49019 1/20 0.44
TRPV1 Q8NER1 6/20 0.41
EGFR P00533 2/20 0.38
ALOX5AP P20292 1/20 0.38
AOC3 Q16853 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
DGAT1 O75907 1/20 0.36
PKM P14618 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL23620906 0.89 HRH3 (0.46) POLBHCAR3AOC3HRH3PKM
SCHEMBL29449725 0.89 HRH3 (0.46) POLBHCAR3AOC3HRH3PKM
SCHEMBL23620903 0.85 HRH3 (0.44) POLBHCAR3AOC3HRH3PKM
SCHEMBL3313839 0.84 HRH3 (0.54) POLBHCAR3EGFRAOC3HRH3
SCHEMBL30380846 0.84 HRH3 (0.54) POLBHCAR3EGFRAOC3HRH3
SCHEMBL2793987 0.84 HCAR3 (0.57) POLBHCAR3AOC3HRH3PKM
SCHEMBL23634036 0.84 HRH3 (0.42) POLBHCAR3AOC3HRH3PKM
SCHEMBL94034 0.81 HCAR3 (0.40) POLBHCAR3EGFRAOC3ADRA2A
SCHEMBL23634074 0.81 ALDH1A1 (0.41) POLBHCAR3TRPV1AOC3HRH3
SCHEMBL7245666 0.81 HRH3 (0.44) POLBHCAR3AOC3HRH3PKM

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 57 patents — showing the first 20. 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 claimed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP claimed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO claimed
EP-4177246-A1 FUSED OXAZEPINES AS INHIBITORS OF PEROXIREDOXINS Centro Atlántico del Medicamento, SA (ES) 2023-05-10 EP disclosed
EP-4177246-A1 FUSED OXAZEPINES AS INHIBITORS OF PEROXIREDOXINS Centro Atlántico del Medicamento, SA (ES) 2023-05-10 EP disclosed
CN-110383156-B Liquid crystal aligning agent, application thereof, liquid crystal element and polymer JSR株式会社 2022-09-13 CN disclosed
CN-110291455-B Liquid crystal aligning agent, liquid crystal alignment film and method for producing the same, liquid crystal element and polymer JSR株式会社 2022-03-22 CN disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
CN-111171842-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element and polymer JSR株式会社 2020-05-19 CN disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
CN-101316844-A Inhibitors of diacylglycerol acyltransferase (DGAT) HOFFMANN LA ROCHE (CH) 2008-12-03 CN 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
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
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. 2007-05-31 US 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 (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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 POLB 4178/4885HCAR3 175/4885TRPV1 2644/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK POLB 3335/4885HCAR3 4326/4885TRPV1 2589/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT POLB 3563/4885HCAR3 3114/4885TRPV1 2202/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK POLB 3175/4885HCAR3 4006/4885TRPV1 2529/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK POLB 3175/4885HCAR3 4006/4885TRPV1 2529/4885

“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.