SCHEMBL2052831

SCHEMBL2052831

CCOC(=O)c1cn(CCOC)c2c(OC)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
TBXAS1 P24557 1/20 0.39
DPP4 P27487 2/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR2 P34972 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NUDT1 P36639 1/20 0.37

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
SCHEMBL2053701 0.86 CNR2 (0.39) LMNAMAPTALDH1A1HPGDCNR2
Hydrochloric Acid SCHEMBL2053752 0.85 CNR2 (0.39) LMNAMAPTALDH1A1HPGDCNR2
SCHEMBL2049911 0.75 CASR (0.42) MEN1KMT2A
SCHEMBL12601218 0.75 ALDH1A1 (0.41) MAPTKDM4EGLAALDH1A1GAA
SCHEMBL1986097 0.73 TPSAB1 (0.37) MAPTKDM4EGLAALDH1A1GAA
Trifluoroacetic Acid SCHEMBL1986098 0.70 TPSAB1 (0.43) MAPTALDH1A1CNR2CNR1MEN1
SCHEMBL17416212 0.69 CNR2 (0.66) LMNAMAPTCNR2SMN1; SMN2
SCHEMBL6042875 0.69 CNR1 (0.64) NPSR1LMNAMAPTALDH1A1GAA
SCHEMBL2049874 0.68 LMNA (0.46) NPSR1LMNAMAPTKDM4EGAA
SCHEMBL13313455 0.68 MEN1 (0.55) NPSR1MAPK1DPP4LMNAMAPT

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
EP-2519520-A1 [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLOPYRIDINYL)-METHANONE DERIVATIVES AS TRYPTASE INHIBITORS SANOFI (FR) 2012-11-07 EP disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US disclosed
WO-2011078984-A1 [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2011-06-30 WO disclosed
WO-2011078984-A1 [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2011-06-30 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-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF CMA1, TPSB2, TPH1 NPSR1 945/4885MAPK1 2559/4885TBXAS1 296/4885

“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.