SCHEMBL2053644

SCHEMBL2053644

COCCn1cc(C(=O)O)c2ccnc(C)c21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CNR2 P34972 4/20 0.42
CNR1 P21554 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DYRK1A Q13627 6/20 0.40
NFATC1 O95644 1/20 0.39
GSK3B P49841 1/20 0.39
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2049769 0.86 CNR2 (0.44) ALDH1A1MAPTCNR2CNR1MEN1
SCHEMBL2050435 0.86 CNR2 (0.42) ALDH1A1MAPTCNR2CNR1MEN1
SCHEMBL2051558 0.85 IDO1 (0.44) CNR2CNR1DYRK1ANFATC1GSK3B
SCHEMBL12601218 0.80 ALDH1A1 (0.41) ALDH1A1MAPTCNR2CNR1MEN1
SCHEMBL2038658 0.79 ALDH1A1 (0.54) ALDH1A1MAPTCNR2CNR1MEN1
SCHEMBL1275667 0.77 MAPT (0.41) ALDH1A1MAPTCNR2CNR1MEN1
SCHEMBL2053701 0.76 CNR2 (0.39) ALDH1A1MAPTCNR2CNR1MEN1
SCHEMBL2042835 0.75 CNR1 (0.46) ALDH1A1MAPTCNR2CNR1MEN1
SCHEMBL1983582 0.75 CNR2 (0.49) ALDH1A1MAPTCNR2CNR1MEN1
SCHEMBL2050633 0.75 CNR1 (0.69) ALDH1A1MAPTCNR2CNR1GSK3B

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 ALDH1A1 357/4885MAPT 1111/4885CNR2 166/4885

“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.