SCHEMBL977591

SCHEMBL977591

COCCN(C(=O)N1CCc2nc(C(N)=O)sc2C1c1ccccc1N)c1ccc(OC)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.35
MAPT P10636 1/20 0.35
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALOX15 P16050 1/20 0.33
TPH1 P17752 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL977219 0.92 PTGDR2 (0.37) PTGDR2MAPTALOX15TPH1
SCHEMBL978328 0.88 TRPC3 (0.35) PTGDR2ALOX15
SCHEMBL977386 0.88 PTGDR2 (0.37) PTGDR2MAPTALOX15TPH1
SCHEMBL978049 0.87 HSD17B10 (0.34) PTGDR2MAPT
SCHEMBL980140 0.85 PTGDR2 (0.35) PTGDR2TPH1
SCHEMBL975341 0.79 TP53 (0.41) MAPTTP53
SCHEMBL979827 0.78 TRPC3 (0.37) PTGDR2MAPTALOX15
SCHEMBL976721 0.78 PTGDR2 (0.38) PTGDR2ALOX15
SCHEMBL977808 0.77 PTGDR2 (0.34) PTGDR2MAPT
SCHEMBL977592 0.76 HTT (0.34) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 PTGDR2 4265/4885MAPT 2144/4885CHRM5 4785/4885

“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.