SCHEMBL14136135

SCHEMBL14136135

C=C1CCc2cc(-c3c(C)nc(CCC)n(Cc4ccc(-c5ccccc5C#N)cc4)c3=O)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
AGTR1 P30556 5/20 0.41
ACHE P22303 1/20 0.39
AGTR2 P50052 1/20 0.38
EDNRA P25101 1/20 0.38

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
SCHEMBL1892450 0.87 PPARG (0.49) PPARGAGTR1ACHEAGTR2EDNRA
SCHEMBL1897246 0.85 PPARG (0.47) PPARGAGTR1ACHE
SCHEMBL1893340 0.85 PPARG (0.51) PPARGAGTR1ACHE
SCHEMBL13626121 0.83 PPARG (0.52) PPARGAGTR1ACHEAGTR2
SCHEMBL1888964 0.83 PPARG (0.64) PPARGAGTR1ACHE
SCHEMBL1893370 0.82 PPARG (0.52) PPARGAGTR1ACHEAGTR2EDNRA
SCHEMBL1898749 0.81 PPARG (0.46) PPARGAGTR1ACHE
SCHEMBL1890122 0.81 PPARG (0.61) PPARGAGTR1ACHE
SCHEMBL1893927 0.80 PPARG (0.55) PPARGAGTR1ACHEAGTR2
SCHEMBL1892572 0.79 PPARG (0.47) PPARGAGTR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 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-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C3AR1, C1S PPARG 3372/4885AGTR1 22/4885ACHE 1434/4885

“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.