SCHEMBL2051278

SCHEMBL2051278

CCOC(=O)c1cc2ncccc2n1CCOC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.48
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.46
CNR2 P34972 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL30489126 0.87 KDM4E (0.49) HSD17B10KDM4ETSHRCRHBPCRHR2
SCHEMBL18322260 0.87 KDM4E (0.49) HSD17B10KDM4ETSHRCRHBPCRHR2
SCHEMBL2053661 0.85 CNR2 (0.46) PTGER4KDM4ETSHRGAASMN1; SMN2
SCHEMBL2049547 0.82 CNR2 (0.41) PTGER4KDM4ETSHRSMN1; SMN2CNR2
SCHEMBL2053914 0.81 KDM4E (0.46) PTGER4HSD17B10KDM4ETSHRGAA
SCHEMBL4714196 0.81 MAPT (0.60) HSD17B10KDM4ETSHRGAASMN1; SMN2
SCHEMBL18322228 0.80 CNR2 (0.46) HSD17B10KDM4ETSHRCRHBPCRHR2
Hydrochloric Acid SCHEMBL30954491 0.80 KDM4E (0.42) HSD17B10KDM4ETSHRCRHBPCRHR2
SCHEMBL22555241 0.80 NPC1 (0.41) PTGER4HSD17B10KDM4ETSHRCRHBP
Trifluoroacetic Acid SCHEMBL2049543 0.79 HPGD (0.43) PTGER4KDM4ESMN1; SMN2CNR2RAB9A

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 PTGER4 391/4885HSD17B10 867/4885KDM4E 515/4885

“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.