SCHEMBL2038682

SCHEMBL2038682

COCCn1cc(C(=O)O)c2c(OC3CC3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.46
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
IL1B P01584 5/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
HRH2 P25021 1/20 0.43
MCL1 Q07820 1/20 0.43
BAD Q92934 1/20 0.43

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
SCHEMBL2054384 0.87 P2RX7 (0.49) P2RX7CNR1CNR2IL1B
SCHEMBL2033486 0.86 MCL1 (0.52) P2RX7CNR1CNR2IL1BALDH1A1
SCHEMBL2034373 0.85 ALDH1A1 (0.50) P2RX7CNR1CNR2IL1BALDH1A1
SCHEMBL2035666 0.81 P2RX7 (0.48) P2RX7CNR1CNR2IL1BALDH1A1
SCHEMBL2034543 0.81 P2RX7 (0.48) P2RX7CNR1CNR2IL1BHRH2
SCHEMBL2044464 0.81 P2RX7 (0.50) P2RX7CNR1CNR2IL1BALDH1A1
SCHEMBL2036321 0.79 ALDH1A1 (0.54) P2RX7CNR1CNR2IL1BALDH1A1
SCHEMBL2035593 0.78 P2RX7 (0.57) P2RX7CNR1CNR2IL1BNPSR1
SCHEMBL2037089 0.78 P2RX7 (0.65) P2RX7IL1B
SCHEMBL2035744 0.78 CNR1 (0.49) P2RX7CNR1CNR2IL1BALDH1A1

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 P2RX7 250/4885CNR1 160/4885CNR2 113/4885

“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.