SCHEMBL2038034

SCHEMBL2038034

Cc1cccc2c(C(=O)O)cn(CCCO)c12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CNR2 P34972 9/20 0.45
CNR1 P21554 6/20 0.45
TPSAB1 Q15661 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH2 P25021 1/20 0.39
RORC P51449 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
SCHEMBL2035737 0.92 ALDH1A1 (0.48) ALDH1A1CNR2CNR1TPSAB1MAPT
SCHEMBL2037642 0.88 CNR2 (0.46) ALDH1A1CNR2CNR1TPSAB1MAPT
SCHEMBL2042192 0.85 ALDH1A1 (0.46) ALDH1A1CNR2CNR1TPSAB1MAPT
SCHEMBL2034334 0.84 ALDH1A1 (0.51) ALDH1A1CNR2CNR1TPSAB1MAPT
SCHEMBL2034732 0.82 ALDH1A1 (0.48) ALDH1A1CNR2CNR1TPSAB1MAPT
SCHEMBL2038658 0.82 ALDH1A1 (0.54) ALDH1A1CNR2CNR1TPSAB1MAPT
SCHEMBL2033726 0.80 CNR1 (0.59) CNR2CNR1MEN1KMT2AHRH2
SCHEMBL2036342 0.80 CNR1 (0.53) ALDH1A1CNR2CNR1TPSAB1HRH2
SCHEMBL2040903 0.79 CNR2 (0.46) CNR2CNR1
SCHEMBL2036403 0.78 ALDH1A1 (0.50) ALDH1A1CNR1TPSAB1MAPTMEN1

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 ALDH1A1 752/4885CNR2 113/4885CNR1 160/4885

“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.