SCHEMBL2036489

SCHEMBL2036489

O=C(c1cn(CCOC(F)(F)F)c2cccc(F)c12)N1CCC(c2cc(CNC(=O)C(F)(F)F)ccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 14/20 0.43
CNR1 P21554 1/20 0.39
HRH2 P25021 1/20 0.38
CHRM2 P08172 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC2A1 P11166 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL2035713 0.94 TPSAB1 (0.41) TPSAB1CNR1HRH2KDM4EMEN1
SCHEMBL2036157 0.93 TPSAB1 (0.51) TPSAB1CNR1HRH2KDM4EMEN1
SCHEMBL27876982 0.92 TPSAB1 (0.41) TPSAB1CNR1HRH2CHRM2KDM4E
SCHEMBL2038997 0.92 TPSAB1 (0.43) TPSAB1HRH2KDM4EMEN1ALDH1A1
SCHEMBL2041122 0.91 TPSAB1 (0.51) TPSAB1CNR1HRH2ALDH1A1SLC2A1
SCHEMBL2036636 0.90 TPSAB1 (0.39) TPSAB1HRH2
SCHEMBL2038775 0.90 TPSAB1 (0.39) TPSAB1HRH2KDM4EMEN1ALDH1A1
SCHEMBL2041767 0.89 TPSAB1 (0.46) TPSAB1CNR1HRH2
SCHEMBL12643095 0.88 TPSAB1 (0.51) TPSAB1CNR1
Hydrochloric Acid SCHEMBL2036955 0.88 TPSAB1 (0.50) TPSAB1CNR1

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-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
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 1/4885CNR1 160/4885HRH2 30/4885

“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.