SCHEMBL2040251

SCHEMBL2040251

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR2 P34972 7/20 0.41
LMNA P02545 1/20 0.39
SERPINE1 P05121 1/20 0.38
SCN9A Q15858 1/20 0.37
RORC P51449 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
SCHEMBL2037470 0.91 ALDH1A1 (0.42) IDO1CNR2SERPINE1RORC
SCHEMBL2044112 0.90 HTT (0.46) IDO1HTTKDM4ECNR2LMNA
SCHEMBL2036160 0.89 IDO1 (0.41) IDO1HTTKDM4ECNR2LMNA
SCHEMBL1986391 0.86 IDO1 (0.48) IDO1HTTKDM4ECNR2LMNA
SCHEMBL12601216 0.84 HTT (0.48) IDO1HTTKDM4ECNR2LMNA
SCHEMBL2051280 0.83 CNR2 (0.52) IDO1HTTKDM4ECNR2LMNA
SCHEMBL12643104 0.82 TDP1 (0.40) HTTCNR2LMNARORC
SCHEMBL2037160 0.82 CNR2 (0.56) IDO1HTTKDM4ECNR2LMNA
SCHEMBL2036957 0.80 RORC (0.43) IDO1KDM4ECNR2SERPINE1SCN9A
SCHEMBL1985481 0.77 ALDH1A1 (0.46) IDO1CNR2RORC

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 IDO1 9/4885HTT 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.