SCHEMBL2040698

SCHEMBL2040698

O=C(O)c1cn(CCCF)c2c(OC(F)(F)F)cccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.52
RORC P51449 3/20 0.42
SERPINE1 P05121 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 2/20 0.38
KDM4E B2RXH2 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
BAD Q92934 1/20 0.35

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
SCHEMBL2051280 0.91 CNR2 (0.52) CNR2RORCSERPINE1CNR1KDM4E
SCHEMBL2038066 0.89 CNR2 (0.56) CNR2RORCALDH1A1CNR1
SCHEMBL2036957 0.88 RORC (0.43) CNR2RORCSERPINE1ALDH1A1KDM4E
SCHEMBL12642925 0.87 CNR2 (0.47) CNR2RORCSERPINE1ALDH1A1CNR1
SCHEMBL1985481 0.85 ALDH1A1 (0.46) CNR2RORCALDH1A1CNR1
SCHEMBL2037470 0.83 ALDH1A1 (0.42) CNR2RORCSERPINE1ALDH1A1
SCHEMBL2037160 0.80 CNR2 (0.56) CNR2CNR1KDM4E
SCHEMBL12643061 0.80 CNR2 (0.43) CNR2ALDH1A1
SCHEMBL2037642 0.79 CNR2 (0.46) CNR2ALDH1A1CNR1
SCHEMBL2044112 0.78 HTT (0.46) CNR2RORCSERPINE1KDM4E

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 CNR2 113/4885RORC 3519/4885SERPINE1 547/4885

“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.