SCHEMBL2040429

SCHEMBL2040429

COCCn1cc(C(=O)O)c2cccc(C#N)c21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
CNR1 P21554 4/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR2 P34972 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GALR3 O60755 1/20 0.40
RAB9A P51151 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 0.82 ALDH1A1 (0.54) CNR1TSHRCNR2ALDH1A1MAPT
SCHEMBL2042835 0.81 CNR1 (0.46) CNR1TSHRNPSR1CNR2ALDH1A1
SCHEMBL1983582 0.81 CNR2 (0.49) POLBCNR1NPSR1CNR2ALDH1A1
SCHEMBL23809280 0.79 CNR1 (0.45) CNR1TSHRNPSR1CNR2ALDH1A1
SCHEMBL2036074 0.78 P2RX7 (0.47) CNR1CNR2ALDH1A1MAPTMEN1
SCHEMBL2035808 0.78 CNR1 (0.44) CNR1TSHRCNR2ALDH1A1MAPT
SCHEMBL2040518 0.77 CNR1 (0.45) CNR1TSHRCNR2ALDH1A1MAPT
SCHEMBL2038751 0.76 ALDH1A1 (0.46) CNR1CNR2ALDH1A1MAPTMEN1
SCHEMBL1985481 0.76 ALDH1A1 (0.46) CNR1CNR2ALDH1A1MAPTMEN1
SCHEMBL2035126 0.75 TPSAB1 (0.43) CNR1TSHRNPSR1CNR2ALDH1A1

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 5 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

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 POLB 3685/4885CNR1 160/4885TSHR 1421/4885

“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.