SCHEMBL2049547

SCHEMBL2049547

COCCn1c(C(=O)OC(=O)C(F)(F)F)cc2ncccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
HPGD P15428 1/20 0.39
MAPK14 Q16539 1/20 0.38
ROCK2 O75116 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER4 P35408 4/20 0.36
BRD4 O60885 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
CASR P41180 1/20 0.35
NTRK1 P04629 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
Trifluoroacetic Acid SCHEMBL2049543 0.84 HPGD (0.43) CNR2HPGDROCK2TP53ALDH1A1
SCHEMBL2051278 0.82 PTGER4 (0.48) CNR2HPGDTP53ALDH1A1KDM4E
SCHEMBL2053661 0.81 CNR2 (0.46) CNR2HPGDTP53ALDH1A1KDM4E
SCHEMBL31399691 0.70 HPGD (0.46) CNR2HPGDMAPK14TP53ALDH1A1
SCHEMBL26611969 0.70 HPGD (0.46) CNR2HPGDMAPK14TP53ALDH1A1
SCHEMBL30489126 0.69 KDM4E (0.49) CNR2HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL18322260 0.69 KDM4E (0.49) CNR2HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL30616426 0.67 POLB (0.43) HPGDTP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6512078 0.67 KDM4E (0.51) CNR2HPGDALDH1A1KDM4EPOLB
SCHEMBL2053914 0.66 KDM4E (0.46) CNR2HPGDTP53ALDH1A1KDM4E

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 3 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
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 166/4885HPGD 219/4885MAPK14 2680/4885

“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.