SCHEMBL5113404

SCHEMBL5113404

Cc1cccc(C#Cc2cccc(-c3nc4ccc(Cl)cn4c3NC3CCCCC3)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.60
ALOX5 P09917 12/20 0.55
PABPC1 P11940 1/20 0.49
BACE1 P56817 2/20 0.48
GAA P10253 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL5119275 0.99 TRPA1 (0.61) TRPA1ALOX5PABPC1BACE1GAA
SCHEMBL5117716 0.91 ALOX5 (0.64) ALOX5PABPC1GAAALDH1A1HTT
SCHEMBL5121161 0.88 TRPA1 (0.60) TRPA1ALOX5PABPC1BACE1GAA
SCHEMBL5129206 0.87 ADORA1 (0.60) ALOX5BACE1GAAALDH1A1
SCHEMBL5128069 0.84 TRPA1 (0.72) TRPA1BACE1ALDH1A1
SCHEMBL5121054 0.83 ALOX5 (0.55) ALOX5PABPC1GAAALDH1A1HTT
SCHEMBL5113411 0.82 TRPA1 (0.54) TRPA1GAAALDH1A1
SCHEMBL5118740 0.82 GAA (0.55) ALOX5PABPC1GAAALDH1A1HTT
SCHEMBL5129666 0.79 MAPK1 (0.54) ALOX5GAAALDH1A1HTT
SCHEMBL5120656 0.78 ALOX5 (0.60) TRPA1ALOX5BACE1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP claimed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS TRPA1 3616/4885ALOX5 4142/4885PABPC1 3457/4885

“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.