SCHEMBL5120656

SCHEMBL5120656

Clc1ccc2nc(-c3ccc(C#Cc4ccccn4)cc3)c(NC3CCCCC3)n2c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.60
BACE1 P56817 2/20 0.57
TRPA1 O75762 1/20 0.52
GFER P55789 2/20 0.50
TRIM33 Q9UPN9 1/20 0.50
GAA P10253 4/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL5121161 0.90 TRPA1 (0.60) ALOX5BACE1TRPA1GFERTRIM33
SCHEMBL5118714 0.84 ALOX5 (0.49) ALOX5BACE1TRPA1GFERTRIM33
SCHEMBL5113498 0.82 GFER (0.48) ALOX5BACE1TRPA1GFERTRIM33
SCHEMBL5120661 0.82 GAA (0.54) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL5128822 0.81 GAA (0.64) ALOX5GFERTRIM33GAAALDH1A1
SCHEMBL5117981 0.81 MAPT (0.61) BACE1TRPA1GAAALDH1A1KDM4E
SCHEMBL19463975 0.80 GFER (0.74) ALOX5BACE1TRPA1GFERTRIM33
SCHEMBL5122721 0.78 ALOX5 (0.65) ALOX5BACE1GFERTRIM33GAA
SCHEMBL5123249 0.78 ALDH1A1 (0.52) ALOX5BACE1GFERTRIM33GAA
SCHEMBL5113404 0.78 TRPA1 (0.60) ALOX5BACE1TRPA1GAAALDH1A1

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-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
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS ALOX5 4142/4885BACE1 3684/4885TRPA1 3616/4885

“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.