SCHEMBL2042835

SCHEMBL2042835

COCCn1cc(C(=O)O)c2cccc(Br)c21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.46
PRPS1 P60891 2/20 0.46
HRH2 P25021 1/20 0.46
CNR2 P34972 6/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
MCL1 Q07820 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL2038658 0.85 ALDH1A1 (0.54) CNR1HRH2CNR2ALDH1A1MAPT
SCHEMBL1983582 0.84 CNR2 (0.49) CNR1CNR2ALDH1A1MAPTMEN1
SCHEMBL23809280 0.82 CNR1 (0.45) CNR1CNR2ALDH1A1MAPTMCL1
SCHEMBL2035808 0.81 CNR1 (0.44) CNR1CNR2ALDH1A1MAPTMEN1
SCHEMBL2036074 0.81 P2RX7 (0.47) CNR1CNR2ALDH1A1MAPTMEN1
SCHEMBL2040429 0.81 POLB (0.44) CNR1CNR2ALDH1A1MAPTMEN1
SCHEMBL2040518 0.80 CNR1 (0.45) CNR1HRH2CNR2ALDH1A1MAPT
SCHEMBL1985481 0.79 ALDH1A1 (0.46) CNR1CNR2ALDH1A1MAPTMEN1
SCHEMBL2038751 0.79 ALDH1A1 (0.46) CNR1CNR2ALDH1A1MAPTMEN1
SCHEMBL2035744 0.79 CNR1 (0.49) CNR1CNR2ALDH1A1MAPT

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 3 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
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 CNR1 160/4885PRPS1 883/4885HRH2 30/4885

“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.