SCHEMBL976474

SCHEMBL976474

CN(C(=O)N1CCc2nc(C(N)=O)sc2C1c1ccccc1N)c1ccc2c(c1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.39
TRPC6 Q9Y210 3/20 0.39
DYRK1A Q13627 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAP3K14 Q99558 6/20 0.32
OGA O60502 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
SCD5 Q86SK9 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
SCHEMBL979827 0.90 TRPC3 (0.37) TRPC3TRPC6MAP3K14OGAPTGDR2
SCHEMBL978328 0.87 TRPC3 (0.35) TRPC3TRPC6MAP3K14PTGDR2SCD5
SCHEMBL977808 0.87 PTGDR2 (0.34) NPC1RAB9APTGDR2
SCHEMBL980145 0.86 PTGDR2 (0.35) PTGDR2SMN1; SMN2
SCHEMBL977386 0.85 PTGDR2 (0.37) PTGDR2
SCHEMBL976590 0.82 TRPC3 (0.45) TRPC3TRPC6DYRK1ANPC1RAB9A
SCHEMBL978006 0.82 FNTA (0.36) PTGDR2
SCHEMBL977762 0.76 PTGDR2 (0.34) PTGDR2
SCHEMBL980003 0.76 MAPT (0.38) NPC1RAB9AOPRK1SMN1; SMN2LMNA
SCHEMBL978816 0.76 PTGDR2 (0.35) 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 TRPC3 4653/4885TRPC6 4552/4885DYRK1A 3572/4885

“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.