SCHEMBL2037677

SCHEMBL2037677

COCCn1cc(C(=O)N2CCC(c3cc(CNC(=O)C(F)(F)F)c(F)cc3F)CC2)c2cccc(C)c21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 11/20 0.59
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH2 P25021 1/20 0.37
RBP4 P02753 5/20 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
SCHEMBL2035665 0.90 TPSAB1 (0.65) TPSAB1CNR1KDM4EALDH1A1GLA
SCHEMBL2036163 0.90 TPSAB1 (0.59) TPSAB1CNR1KDM4EALDH1A1GLA
SCHEMBL12642997 0.87 TPSAB1 (0.65) TPSAB1CNR1KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL2035165 0.86 TPSAB1 (0.64) TPSAB1CNR1KDM4EALDH1A1GLA
SCHEMBL2033081 0.85 TPSAB1 (0.65) TPSAB1CNR1KDM4EALDH1A1GLA
SCHEMBL2034027 0.85 TPSAB1 (0.68) TPSAB1CNR1KDM4EALDH1A1GLA
SCHEMBL2039762 0.84 TPSAB1 (0.54) TPSAB1CNR1KDM4EALDH1A1GLA
SCHEMBL2045147 0.84 TPSAB1 (0.60) TPSAB1CNR1KDM4EALDH1A1GLA
SCHEMBL2051267 0.84 TPSAB1 (0.54) TPSAB1CNR1HRH2
SCHEMBL2040821 0.84 TPSAB1 (0.54) TPSAB1KDM4EALDH1A1GLAGAA

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 160/4885KDM4E 801/4885

“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.