SCHEMBL2040702

SCHEMBL2040702

Cc1cccc2c(C(=O)C(F)(F)F)cn(CCCc3ccccc3)c12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.53
TPSAB1 Q15661 4/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.45
IDO1 P14902 2/20 0.44
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH1 P35367 1/20 0.40
CNR2 P34972 4/20 0.40
CNR1 P21554 1/20 0.40
SERPINE1 P05121 1/20 0.39
MLYCD O95822 1/20 0.39

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
SCHEMBL2040980 0.87 S1PR1 (0.44) S1PR1TPSAB1KDM4EHTTLMNA
SCHEMBL2042192 0.87 ALDH1A1 (0.46) TPSAB1LMNAHRH1CNR2CNR1
SCHEMBL2043018 0.86 TPSAB1 (0.47) S1PR1TPSAB1KDM4EHTTIDO1
SCHEMBL2052293 0.80 TPSAB1 (0.54) TPSAB1KDM4EHTTIDO1LMNA
SCHEMBL2034732 0.79 ALDH1A1 (0.48) TPSAB1LMNAHRH1CNR2CNR1
SCHEMBL2036748 0.79 TPSAB1 (0.45) TPSAB1KDM4EHTTIDO1LMNA
SCHEMBL2038252 0.78 CNR1 (0.50) TPSAB1KDM4EHTTIDO1LMNA
SCHEMBL2041776 0.78 TPSAB1 (0.42) S1PR1TPSAB1KDM4EHTTIDO1
SCHEMBL2041125 0.78 NR4A2 (0.49) KDM4ELMNAL3MBTL1HRH1CNR2
SCHEMBL2033905 0.76 CNR1 (0.61) LMNACNR2CNR1

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 S1PR1 453/4885TPSAB1 1/4885KDM4E 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.