SCHEMBL3668288

SCHEMBL3668288

NC(=O)c1[c]cnc(N2CCNCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SRC P12931 1/20 0.39
HRH1 P35367 1/20 0.39
ADRB1 P08588 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CASP1 P29466 3/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
PRKD1 Q15139 3/20 0.36
PRKD2 Q9BZL6 3/20 0.36
PRKD3 O94806 1/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 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
SCHEMBL4965908 0.86 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2CASP1CYP1A2
SCHEMBL2794719 0.82 KDM4E (0.53) ALDH1A1KDM4ESRCSMN1; SMN2TSHR
SCHEMBL3317526 0.79 PTPN11 (0.44) KDM4ESMN1; SMN2CYP1A2TSHRSYK
SCHEMBL3318389 0.79 PTPN11 (0.44) ALDH1A1KDM4EHRH3ACVR1
SCHEMBL3635734 0.77 IKBKB (0.39) ALDH1A1KDM4EHSD17B10HPGDIKBKB
SCHEMBL4969126 0.76 LCK (0.38) CYP2C19IKBKBSYK
SCHEMBL4967728 0.76 LCK (0.38) CYP2C19IKBKBSYK
SCHEMBL4967807 0.76 LCK (0.38) CYP2C19IKBKBSYK
SCHEMBL701826 0.73 HRH3 (0.44) ALDH1A1KDM4EADRB1USP2TDP1
SCHEMBL16432179 0.73 ADRB1 (0.54) ALDH1A1KDM4ESRCADRB1PRKD1

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-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20040009988-A1 Bioisosteric bensamide derivatives and their use as apob-100 secretion inhibitors SMITHKLINE BEECHAM CORPORATION 2004-01-15 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885KDM4E 2823/4885SRC 3639/4885
US-20040009988-A1 Bioisosteric bensamide derivatives and their use as apob-100 secretion inhibitors APOB, APOL1, TTR ALDH1A1 2752/4885KDM4E 3540/4885SRC 4696/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885KDM4E 2823/4885SRC 3639/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885KDM4E 2823/4885SRC 3639/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885KDM4E 2823/4885SRC 3639/4885

“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.