SCHEMBL2036078

SCHEMBL2036078

OCCOCCn1ccc2cccc(OC(F)(F)F)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.42
ERBB2 P04626 5/20 0.42
ERBB3 P21860 5/20 0.42
ERBB4 Q15303 5/20 0.42
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
APP P05067 1/20 0.33
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
SCN9A Q15858 2/20 0.31
FPR2 P25090 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
MPL P40238 1/20 0.30

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
SCHEMBL2033720 0.89 EGFR (0.38) EGFRERBB2ERBB3ERBB4MAPT
SCHEMBL12543430 0.82 SCN9A (0.38) MAPTTRPV1SCN9AMPL
SCHEMBL12601214 0.81 GRM2 (0.38) MAPTTRPV1HCRTR1HCRTR2
SCHEMBL12543524 0.80 CDK4 (0.36) TRPV1SCN9A
SCHEMBL12543158 0.78 CNR2 (0.41) MAPTKMT2ATRPV1
SCHEMBL2036887 0.76 P2RX7 (0.46) EGFRERBB2ERBB3ERBB4MEN1
SCHEMBL2040251 0.75 IDO1 (0.42) SCN9A
SCHEMBL2037470 0.75 ALDH1A1 (0.42) MAPTMEN1KMT2A
SCHEMBL12643104 0.75 TDP1 (0.40) EGFRERBB2ERBB3ERBB4MAPT
SCHEMBL15136762 0.71 CDK4 (0.61) MAPTMEN1KMT2A

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 EGFR 1733/4885ERBB2 810/4885ERBB3 2482/4885

“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.