SCHEMBL2050889

SCHEMBL2050889

COCCn1cc(C(=O)N2CCC(c3cc(CNC(=O)C(F)(F)F)ccc3F)CC2)c2ccncc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 10/20 0.49
CNR2 P34972 1/20 0.43
RBP4 P02753 4/20 0.38
HRH2 P25021 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NFATC1 O95644 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL2052395 0.94 TPSAB1 (0.49) TPSAB1CNR2RBP4HRH2KDM4E
SCHEMBL2052560 0.87 TPSAB1 (0.56) TPSAB1CNR2NFATC1GSK3BDYRK1A
SCHEMBL12693858 0.87 TPSAB1 (0.48) TPSAB1RBP4KDM4EMEN1ALDH1A1
SCHEMBL9112574 0.87 TPSAB1 (0.49) TPSAB1RBP4HRH2KDM4EMEN1
SCHEMBL2049973 0.87 CNR2 (0.41) TPSAB1CNR2MEN1KMT2ANFATC1
Hydrochloric Acid SCHEMBL2051625 0.87 TPSAB1 (0.55) TPSAB1CNR2NFATC1GSK3BDYRK1A
SCHEMBL2050935 0.86 TPSAB1 (0.49) TPSAB1RBP4HRH2KDM4EMEN1
SCHEMBL2050453 0.86 TPSAB1 (0.47) TPSAB1CNR2RBP4KDM4EMEN1
SCHEMBL2049857 0.86 TPSAB1 (0.47) TPSAB1RBP4KDM4EMEN1ALDH1A1
SCHEMBL2051148 0.86 TPSAB1 (0.47) TPSAB1RBP4HRH2KDM4EMEN1

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 TPSAB1 4/4885CNR2 166/4885RBP4 3513/4885

“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.