SCHEMBL2035772

SCHEMBL2035772

CCCn1cc(-c2cccc3c2c(C(=O)N2CCC(c4cc(CNC(=O)C(F)(F)F)ccc4F)CC2)cn3CCOC(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 13/20 0.39
HRH2 P25021 1/20 0.35
NAMPT P43490 2/20 0.34
TP53 P04637 1/20 0.32
CHRM1 P11229 1/20 0.32
TYK2 P29597 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL2037783 0.94 TPSAB1 (0.44) TPSAB1HRH2NAMPTTYK2
SCHEMBL12643135 0.91 TPSAB1 (0.46) TPSAB1
Hydrochloric Acid SCHEMBL2038148 0.90 TPSAB1 (0.45) TPSAB1
SCHEMBL2038775 0.90 TPSAB1 (0.39) TPSAB1HRH2
SCHEMBL2038997 0.89 TPSAB1 (0.43) TPSAB1HRH2
SCHEMBL2036636 0.89 TPSAB1 (0.39) TPSAB1HRH2
SCHEMBL2036489 0.86 TPSAB1 (0.43) TPSAB1HRH2CNR1
SCHEMBL2039675 0.85 TPSAB1 (0.46) TPSAB1HRH2
SCHEMBL2035713 0.84 TPSAB1 (0.41) TPSAB1HRH2CNR1
SCHEMBL2035727 0.84 TPSAB1 (0.51) TPSAB1HRH2CNR1

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 1/4885HRH2 30/4885NAMPT 464/4885

“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.