SCHEMBL976949

SCHEMBL976949

CC(C)(C)N(CCc1ccsc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
OPRM1 P35372 5/20 0.38
OPRD1 P41143 5/20 0.38
OPRK1 P41145 5/20 0.38
LTA4H P09960 1/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
HCAR3 P49019 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL21247482 0.78 KMT2A (0.63) MEN1HTTKMT2AL3MBTL1TAAR1
SCHEMBL4147783 0.76 ESRRG (0.49) MEN1HTTKMT2AL3MBTL1OPRM1
SCHEMBL1935310 0.76 MEN1 (0.47) MEN1HTTKMT2AL3MBTL1
SCHEMBL2881402 0.76 PPARA (0.49) MEN1HTTKMT2AL3MBTL1
SCHEMBL1027884 0.76 MEN1 (0.47) MEN1HTTKMT2AL3MBTL1TAAR1
SCHEMBL1845384 0.74 MEN1 (0.46) MEN1HTTKMT2AL3MBTL1
SCHEMBL11898599 0.74 MEN1 (0.46) MEN1HTTKMT2AL3MBTL1
SCHEMBL21997106 0.74 KMT2A (0.46) MEN1HTTKMT2AL3MBTL1TAAR1
SCHEMBL19921435 0.74 CYP2C9 (0.49) MEN1HTTKMT2AL3MBTL1
SCHEMBL1935745 0.74 MEN1 (0.46) MEN1HTTKMT2AL3MBTL1TAAR1

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 2 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
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 DRD2 2799/4885DRD3 2296/4885MEN1 3674/4885

“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.