SCHEMBL2039952

SCHEMBL2039952

COCCn1cc(C(=O)N2CCC(c3cc(CNC(=O)C(F)(F)F)ccc3F)CC2)c2cccc(OC(F)(F)F)c21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 9/20 0.51
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RBP4 P02753 1/20 0.37
CNR1 P21554 5/20 0.37
HRH2 P25021 2/20 0.37
CNR2 P34972 2/20 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
Hydrochloric Acid SCHEMBL12543454 0.96 TPSAB1 (0.56) TPSAB1
SCHEMBL2036978 0.92 TPSAB1 (0.41) TPSAB1CNR1CNR2
SCHEMBL2039762 0.92 TPSAB1 (0.54) TPSAB1KDM4EMEN1ALDH1A1GLA
SCHEMBL2035780 0.92 TPSAB1 (0.42) TPSAB1HRH2CNR2
SCHEMBL2036711 0.92 TPSAB1 (0.50) TPSAB1KDM4EMEN1ALDH1A1GLA
SCHEMBL2034170 0.92 TPSAB1 (0.50) TPSAB1CNR1HRH2CNR2
SCHEMBL2040821 0.91 TPSAB1 (0.54) TPSAB1KDM4EMEN1ALDH1A1GLA
SCHEMBL6871368 0.91 TPSAB1 (0.44) TPSAB1KDM4EMEN1ALDH1A1GLA
SCHEMBL2039787 0.91 TPSAB1 (0.44) TPSAB1CNR2
SCHEMBL12697324 0.91 TPSAB1 (0.53) TPSAB1KDM4EMEN1ALDH1A1GLA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 TPSAB1 1/4885KDM4E 801/4885MEN1 1532/4885

“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.