SCHEMBL1985481

SCHEMBL1985481

COCCn1cc(C(=O)O)c2cccc(OC(F)(F)F)c21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CNR2 P34972 10/20 0.44
CNR1 P21554 4/20 0.43
TPSAB1 Q15661 1/20 0.42
RORC P51449 2/20 0.41
IDO1 P14902 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL1986391 0.91 IDO1 (0.48) CNR2CNR1TPSAB1IDO1
SCHEMBL12643105 0.91 CNR2 (0.44) CNR2CNR1TPSAB1IDO1MAPT
SCHEMBL12642925 0.88 CNR2 (0.47) ALDH1A1CNR2CNR1TPSAB1RORC
SCHEMBL2036957 0.87 RORC (0.43) ALDH1A1CNR2RORCIDO1MAPT
SCHEMBL2037470 0.86 ALDH1A1 (0.42) ALDH1A1CNR2RORCIDO1MAPT
SCHEMBL2038066 0.86 CNR2 (0.56) ALDH1A1CNR2CNR1TPSAB1RORC
SCHEMBL2040698 0.85 CNR2 (0.52) ALDH1A1CNR2CNR1RORC
SCHEMBL2038751 0.84 ALDH1A1 (0.46) ALDH1A1CNR2CNR1MAPTMEN1
SCHEMBL2036074 0.83 P2RX7 (0.47) ALDH1A1CNR2CNR1TPSAB1MAPT
SCHEMBL1983582 0.82 CNR2 (0.49) ALDH1A1CNR2CNR1TPSAB1RORC

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 10 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
EP-2516428-A1 TROPINONE 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
US-20120238600-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-20 US disclosed
WO-2011087652-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-07-21 WO disclosed
WO-2011079103-A1 SPIROPIPERIDINE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079103-A1 SPIROPIPERIDINE 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 (2 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-20120238600-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 ALDH1A1 202/4885CNR2 326/4885CNR1 261/4885
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.