SCHEMBL980140

SCHEMBL980140

COCCN(C)C(=O)N1CCc2nc(C(N)=O)sc2C1c1ccccc1N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.35
TPH1 P17752 1/20 0.34
HTR2C P28335 1/20 0.33
F10 P00742 1/20 0.32
BTK Q06187 1/20 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
SCHEMBL978049 0.85 HSD17B10 (0.34) PTGDR2BTK
SCHEMBL977591 0.85 PTGDR2 (0.35) PTGDR2TPH1
SCHEMBL976721 0.83 PTGDR2 (0.38) PTGDR2
SCHEMBL978328 0.83 TRPC3 (0.35) PTGDR2
SCHEMBL977808 0.81 PTGDR2 (0.34) PTGDR2
SCHEMBL977386 0.81 PTGDR2 (0.37) PTGDR2TPH1
SCHEMBL978816 0.79 PTGDR2 (0.35) PTGDR2
SCHEMBL978006 0.79 FNTA (0.36) PTGDR2
SCHEMBL977592 0.77 HTT (0.34) PTGDR2
SCHEMBL977879 0.76 LHCGR (0.44) HTR2CF10

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 4265/4885TPH1 1650/4885HTR2C 3359/4885

“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.