SCHEMBL10272736

SCHEMBL10272736

CCCNC(=O)N(C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNA3 P32297 2/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
EPHX1 P07099 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
EPHX2 P34913 1/20 0.35
CHRNA7 P36544 1/20 0.35
BCHE P06276 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9474824 0.87 EPHX1 (0.47) CHRNB2CHRNB4CHRNA4MMP2EPHX1
SCHEMBL4373918 0.85 EPHX1 (0.52) EPHX1SMN1; SMN2
SCHEMBL24977105 0.84 EPHX1 (0.55) EPHX1SMN1; SMN2
SCHEMBL9474469 0.84 EPHX1 (0.55) EPHX1SMN1; SMN2
SCHEMBL9854166 0.82 KDM4E (0.46) CHRNB2CHRNB4CHRNA4EPHX1MEN1
SCHEMBL3276345 0.81 ALDH1A1 (0.41) CHRNB2CHRNB4CHRNA4CHRNA3MMP1
SCHEMBL23269745 0.77 NAMPT (0.38) CHRNB2CHRNB4CHRNA4CHRNA3MMP1
SCHEMBL10809803 0.75 MMP1 (0.39) CHRNB2CHRNB4CHRNA4CHRNA3MMP1
SCHEMBL10809799 0.75 MCL1 (0.37) CHRNB2CHRNB4CHRNA4CHRNA3MMP1
SCHEMBL22559962 0.74 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140050779-A1 TRANSGLUTAMINASE-2 INHIBITORS AND USES THEREOF SINGAPORE HEALTH SERVICES PTE. LTD. (SG) 2014-02-20 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-20110065676-A1 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH NAR AGONISTS SCHERING CORPORATION (US) 2011-03-17 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (7 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CHRNB2 4505/4885CHRNB4 4618/4885CHRNA4 4612/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR CHRNB2 3658/4885CHRNB4 4342/4885CHRNA4 4348/4885
US-20140050779-A1 TRANSGLUTAMINASE-2 INHIBITORS AND USES THEREOF TGM2, AGBL2, TGM3 CHRNB2 3541/4885CHRNB4 4459/4885CHRNA4 4742/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 CHRNB2 4813/4885CHRNB4 4848/4885CHRNA4 4880/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET CHRNB2 4800/4885CHRNB4 4832/4885CHRNA4 4873/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET CHRNB2 4800/4885CHRNB4 4832/4885CHRNA4 4873/4885
US-20110065676-A1 COMBINATION THERAPIES COMPRISING PAR1 ANTAGONISTS WITH NAR AGONISTS F2R, F2RL1, F2RL3 CHRNB2 2282/4885CHRNB4 2261/4885CHRNA4 1631/4885

“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.