SCHEMBL5731076

SCHEMBL5731076

CCn1c(C=O)c(-c2ccc(F)cc2)c(C(C)C)c1C(=O)Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK14 Q16539 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
HMGCR P04035 2/20 0.32

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
SCHEMBL5732075 0.89 GRIA2 (0.40) GCGRALDH1A1MAPK14GRIA2GRIA4
SCHEMBL5731277 0.85 MAPT (0.41) ALDH1A1
SCHEMBL5730843 0.74 GRIA2 (0.43) ALDH1A1MAPK14RIPK3GRIA2GRIA4
SCHEMBL5731592 0.65 HMGCR (0.43) ALDH1A1GRIA2GRIA4HMGCR
SCHEMBL5731885 0.65 MAPT (0.42) ALDH1A1
SCHEMBL5731420 0.62 HMGCR (0.45) ALDH1A1HMGCR
SCHEMBL29720848 0.62 MMP1 (0.35) ALDH1A1MAPK14GRIA2GRIA4HMGCR
SCHEMBL5731467 0.61 HMGCR (0.52) HMGCR
SCHEMBL5731954 0.61 ALDH1A1 (0.46) GCGRALDH1A1MAPK14
SCHEMBL557586 0.61 MAPK14 (0.51) ALDH1A1MAPK14HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691803-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-08-23 EP disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 GCGR 1255/4885ALDH1A1 1452/4885MAPK14 3825/4885

“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.