SCHEMBL10272672

SCHEMBL10272672

CCC(=O)N(CCC#N)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.46
FNTB P49356 5/20 0.46
DPP4 P27487 4/20 0.40
OPRM1 P35372 5/20 0.39
NAMPT P43490 1/20 0.38
CASP1 P29466 1/20 0.37
PYGL P06737 1/20 0.37
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL23169711 0.85 FNTA (0.36) FNTAFNTBOPRM1CASP1PYGL
SCHEMBL8719745 0.79 FNTA (0.46) FNTAFNTBDPP4NAMPTPYGL
SCHEMBL18576497 0.79 OPRM1 (0.43) OPRM1PYGLMAOAMAOBALDH1A1
SCHEMBL11715332 0.78 FNTA (0.42) FNTAFNTBDPP4NAMPTPYGL
SCHEMBL10223242 0.77 DPP4 (0.45) FNTAFNTBDPP4NAMPTCASP1
SCHEMBL9072487 0.75 DPP4 (0.40) FNTAFNTBDPP4NAMPTPYGL
SCHEMBL15029862 0.75 DPP4 (0.50) FNTAFNTBDPP4NAMPT
SCHEMBL13069827 0.74 L3MBTL1 (0.45) OPRM1ALDH1A1ALOX15SLC6A2SLC6A4
SCHEMBL18711467 0.74 DPP4 (0.41) FNTAFNTBDPP4NAMPTPYGL
SCHEMBL1700806 0.73 DPP4 (0.42) FNTAFNTBDPP4NAMPTALDH1A1

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
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-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 (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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 FNTA 1800/4885FNTB 1681/4885DPP4 1951/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR FNTA 3336/4885FNTB 2778/4885DPP4 4390/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 FNTA 1645/4885FNTB 2659/4885DPP4 1678/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET FNTA 1384/4885FNTB 1567/4885DPP4 2053/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET FNTA 1384/4885FNTB 1567/4885DPP4 2053/4885

“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.