SCHEMBL9899322

SCHEMBL9899322

CNc1cc(N2CCC(C(F)(F)F)CC2)c(F)cc1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.33
TRPV3 Q8NET8 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.32
MAPK1 P28482 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CHRM3 P20309 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
DRD2 P14416 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
SCHEMBL9900429 0.85 ALDH1A1 (0.40) ALDH1A1MAPTSCN10AGAAMEN1
SCHEMBL14217250 0.85 GAA (0.46) ALDH1A1MAPTMAPK1GAAMEN1
SCHEMBL9899662 0.83 ALDH1A1 (0.40) ALDH1A1MAPTSCN10AGAAMEN1
SCHEMBL9899778 0.82 DRD2 (0.36) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL25207396 0.82 ALDH1A1 (0.43) TRPV3ALDH1A1MAPTMAPK1GAA
SCHEMBL30279094 0.82 ALDH1A1 (0.43) TRPV3ALDH1A1MAPTMAPK1GAA
SCHEMBL9898451 0.79 KDM4E (0.45) ALDH1A1MAPTSCN10AGAAKMT2A
SCHEMBL9904163 0.79 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1GAALMNA
SCHEMBL9899784 0.77 S100B (0.36) ALDH1A1MAPTMAPK1GAAMEN1
SCHEMBL9897728 0.76 ALDH1A1 (0.40) ALDH1A1MAPTSCN10AKMT2ALMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES TRPV1 954/4885TRPV3 1943/4885ALDH1A1 140/4885

“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.