SCHEMBL2034732

SCHEMBL2034732

Cc1cccc2c(C(=O)O)cn(CCc3ccccc3)c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HRH1 P35367 1/20 0.46
FABP4 P15090 1/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TPSAB1 Q15661 2/20 0.41
HRH2 P25021 1/20 0.41
NOTUM Q6P988 1/20 0.40

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
SCHEMBL2042192 0.92 ALDH1A1 (0.46) ALDH1A1HRH1FABP4CNR1CNR2
SCHEMBL2041125 0.87 NR4A2 (0.49) ALDH1A1HRH1CNR1CNR2LMNA
SCHEMBL2035737 0.85 ALDH1A1 (0.48) ALDH1A1FABP4CNR1CNR2MAPT
SCHEMBL2038034 0.82 ALDH1A1 (0.46) ALDH1A1CNR1CNR2MAPTMEN1
SCHEMBL2037642 0.81 CNR2 (0.46) ALDH1A1CNR1CNR2MAPTMEN1
SCHEMBL2038658 0.81 ALDH1A1 (0.54) ALDH1A1CNR1CNR2MAPTMEN1
SCHEMBL2040903 0.80 CNR2 (0.46) CNR1CNR2LMNA
SCHEMBL2040702 0.79 S1PR1 (0.53) HRH1CNR1CNR2LMNATPSAB1
SCHEMBL2036342 0.79 CNR1 (0.53) ALDH1A1FABP4CNR1CNR2TPSAB1
SCHEMBL26581458 0.79 CNR1 (0.48) ALDH1A1HRH1FABP4CNR1CNR2

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 752/4885HRH1 29/4885FABP4 4078/4885

“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.