SCHEMBL2051280

SCHEMBL2051280

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.52
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
IDO1 P14902 5/20 0.43
LMNA P02545 1/20 0.41
S1PR1 P21453 1/20 0.41
RORC P51449 1/20 0.38
SERPINE1 P05121 1/20 0.38
ATM Q13315 1/20 0.37
CNR1 P21554 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL2040698 0.91 CNR2 (0.52) CNR2KDM4ERORCSERPINE1CNR1
SCHEMBL2037160 0.89 CNR2 (0.56) CNR2HTTKDM4EIDO1LMNA
SCHEMBL2044112 0.88 HTT (0.46) CNR2HTTKDM4EIDO1LMNA
SCHEMBL12601216 0.87 HTT (0.48) CNR2HTTKDM4EIDO1LMNA
SCHEMBL1986391 0.85 IDO1 (0.48) CNR2HTTKDM4EIDO1LMNA
SCHEMBL2043018 0.83 TPSAB1 (0.47) CNR2HTTKDM4EIDO1LMNA
SCHEMBL2040251 0.83 IDO1 (0.42) CNR2HTTKDM4EIDO1LMNA
SCHEMBL2036160 0.81 IDO1 (0.41) CNR2HTTKDM4EIDO1LMNA
SCHEMBL2038066 0.80 CNR2 (0.56) CNR2RORCCNR1
SCHEMBL12643061 0.80 CNR2 (0.43) CNR2HTTLMNA

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 113/4885HTT 1251/4885KDM4E 801/4885

“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.