SCHEMBL3276345

SCHEMBL3276345

CCNC(=O)N(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA3 P32297 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 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
SCHEMBL10272736 0.81 CHRNB2 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA4CHRNA3
SCHEMBL11532346 0.81 CHRNB2 (0.39) ALDH1A1GAACHRNB2CHRNB4CHRNA4
SCHEMBL22559962 0.78 CHRNB2 (0.36) ALDH1A1GAACHRNB2CHRNB4CHRNA4
SCHEMBL966430 0.78 CHRNB2 (0.40) ALDH1A1GAACHRNB2CHRNB4CHRNA4
SCHEMBL9474824 0.78 EPHX1 (0.47) CHRNB2CHRNB4CHRNA4MMP2KMT2A
SCHEMBL967637 0.76 ALDH1A1 (0.42) ALDH1A1GAACHRNB2CHRNB4CHRNA4
SCHEMBL9854166 0.76 KDM4E (0.46) ALDH1A1CHRNB2CHRNB4CHRNA4KDM4E
SCHEMBL24977105 0.74 EPHX1 (0.55) MMP8EPHX1
SCHEMBL9474469 0.74 EPHX1 (0.55) MMP8EPHX1
SCHEMBL22648929 0.74 CHRNB2 (0.32) ALDH1A1CHRNB2CHRNB4CHRNA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-20140050779-A1 TRANSGLUTAMINASE-2 INHIBITORS AND USES THEREOF SINGAPORE HEALTH SERVICES PTE. LTD. (SG) 2014-02-20 US disclosed
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2012-05-03 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-20110065676-A1 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH NAR AGONISTS SCHERING CORPORATION (US) 2011-03-17 US disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
CN-1535151-A Novel anti-infectives ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-06 CN 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 (10 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 ALDH1A1 3152/4885GAA 2409/4885CHRNB2 3838/4885
US-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 ALDH1A1 2356/4885GAA 3044/4885CHRNB2 16/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 ALDH1A1 3152/4885GAA 2409/4885CHRNB2 3838/4885
US-20140050779-A1 TRANSGLUTAMINASE-2 INHIBITORS AND USES THEREOF TGM2, AGBL2, TGM3 ALDH1A1 2547/4885GAA 16/4885CHRNB2 3541/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET ALDH1A1 3139/4885GAA 764/4885CHRNB2 4800/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 ALDH1A1 2356/4885GAA 3044/4885CHRNB2 16/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 ALDH1A1 2356/4885GAA 3044/4885CHRNB2 16/4885
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET ALDH1A1 3139/4885GAA 764/4885CHRNB2 4800/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 ALDH1A1 2356/4885GAA 3044/4885CHRNB2 16/4885
US-20110065676-A1 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH NAR AGONISTS F2R, F2RL1, F2RL3 ALDH1A1 2928/4885GAA 2969/4885CHRNB2 2282/4885

“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.