SCHEMBL2049484

SCHEMBL2049484

COCCn1c(C(=O)O)cc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
TP53 P04637 1/20 0.46
CNR1 P21554 4/20 0.46
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
HASPIN Q8TF76 1/20 0.43
PKM P14618 1/20 0.43
MCL1 Q07820 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 1/20 0.41
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 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
SCHEMBL2053914 0.85 KDM4E (0.46) CNR2TP53CNR1NPSR1POLB
SCHEMBL3757847 0.82 GPR35 (0.48) CNR2CNR1POLBMCL1ALDH1A1
SCHEMBL4395300 0.80 CCR2 (0.52) CNR2CNR1POLBMCL1ALDH1A1
SCHEMBL2053661 0.79 CNR2 (0.46) CNR2TP53POLBCCNCCDK8
SCHEMBL29750342 0.78 ALDH1A1 (0.64) CNR2POLBMCL1ALDH1A1CYP1A2
SCHEMBL7894118 0.78 ALDH1A1 (0.64) CNR2POLBMCL1ALDH1A1CYP1A2
SCHEMBL23418448 0.78 NPC1 (0.42) CNR2CNR1MAPTPOLBMCL1
SCHEMBL3758947 0.77 MCL1 (0.56) CNR2MAPTPOLBMCL1ALDH1A1
SCHEMBL3005616 0.77 CCR2 (0.62) CNR2TP53CNR1ALDH1A1CYP1A2
SCHEMBL7686579 0.76 KDM4E (0.44) CNR2MCL1ALDH1A1NTRK1NTRK3

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 CNR2 166/4885TP53 4700/4885CNR1 313/4885

“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.