SCHEMBL5643554

SCHEMBL5643554

CC(C)C(C)C(CN)c1noc(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.36
DDAH1 O94760 1/20 0.33
PTGER3 P43115 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
SCHEMBL5641630 0.90 CTH (0.38) CTHDDAH1PTGER3
SCHEMBL5641866 0.86 CTH (0.33) CTHDDAH1
SCHEMBL5642486 0.82 CTH (0.35) CTHDDAH1
SCHEMBL5644037 0.80 DDAH1 (0.33) CTHDDAH1
SCHEMBL5642661 0.77 DDAH1 (0.34) CTHDDAH1
SCHEMBL5644452 0.74
SCHEMBL5644169 0.74 CTH (0.39) CTHDDAH1
SCHEMBL5642370 0.73 CTH (0.36) CTHDDAH1
SCHEMBL5643601 0.73 CDK1 (0.31)
SCHEMBL19859659 0.73 CTH (0.41) CTHDDAH1PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250433-B2 Tetrazole and oxadiazolone substituted β-amino acid derivatives WARNER LAMBERT COMPANY LLC (US) 2007-07-31 US disclosed
US-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives BARTA NANCY SUE (US) 2005-01-20 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-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives GLRA2, CACNG5, GLRB CTH 2144/4885DDAH1 1460/4885PTGER3 554/4885

“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.