SCHEMBL976353

SCHEMBL976353

CCOC(=O)c1nc2c(s1)CN(C(C)=Nc1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GRM5 P41594 15/20 0.45
PDE4D Q08499 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL976351 1.00 NPC1 (0.47) NPC1RAB9AGRM5PDE4DADORA3
SCHEMBL976048 0.87 NPC1 (0.45) NPC1RAB9AGRM5PDE4DADORA3
SCHEMBL976046 0.87 NPC1 (0.45) NPC1RAB9AGRM5PDE4DADORA3
SCHEMBL980083 0.86 GRM5 (0.50) NPC1RAB9AGRM5
SCHEMBL980081 0.86 GRM5 (0.50) NPC1RAB9AGRM5
SCHEMBL14942607 0.83 NPC1 (0.39) NPC1RAB9AGRM5PDE4DADORA3
SCHEMBL977983 0.81 GRM5 (0.48) NPC1RAB9AGRM5GAAKMT2A
SCHEMBL3441465 0.80 MAPT (0.46) NPC1RAB9AGRM5PDE4DADORA3
SCHEMBL978168 0.79 KDM4E (0.49) NPC1RAB9AGRM5GAAKMT2A
SCHEMBL976084 0.77 F10 (0.44) NPC1RAB9AGRM5

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 3 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

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 NPC1 2881/4885RAB9A 1395/4885GRM5 2738/4885

“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.