SCHEMBL4431087

SCHEMBL4431087

COC(=O)CCC(C#N)(CCC(=O)OC)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.39
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 0.39
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
VEGFA P15692 1/20 0.37
FLT1 P17948 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 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
SCHEMBL4431139 0.85 CNR1 (0.41) KMT2AMAPTCASP1HSD17B10HPGD
SCHEMBL11817907 0.83 MAPT (0.40) MEN1KMT2AMAPTCASP1HSD17B10
SCHEMBL8180989 0.83 KIF11 (0.40) MEN1KMT2ASCN5ASCN9A
SCHEMBL734030 0.83 KCNN4 (0.42) MEN1KMT2AMAPTHSD17B10HPGD
SCHEMBL4431094 0.83 KYAT1 (0.40) MEN1KMT2AMAPTSCN5ASCN9A
SCHEMBL3519610 0.83 L3MBTL1 (0.45) MEN1KMT2AMAPTCASP1HSD17B10
SCHEMBL7744791 0.80 HSD17B10 (0.41) KMT2AMAPTCASP1HSD17B10HPGD
SCHEMBL3521335 0.79 ALDH1A1 (0.43) CASP1HSD17B10HPGDCNR1CNR2
SCHEMBL6544463 0.79 L3MBTL1 (0.41) MAPTCASP1HSD17B10L3MBTL1CYP3A4
SCHEMBL16691418 0.79 L3MBTL1 (0.41) MEN1KMT2AMAPTCASP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO 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 (1 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 MEN1 2669/4885KMT2A 2558/4885MAPT 3625/4885

“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.