SCHEMBL976170

SCHEMBL976170

CN1CCN(c2ccc(NC(=O)N3CCc4nc(C(N)=O)sc4C3c3ccccc3N)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
CCNT1 O60563 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK9 P50750 1/20 0.41
CDK6 Q00534 1/20 0.41
CDK11A Q9UQ88 1/20 0.41
RAB9A P51151 2/20 0.40
PIK3CA P42336 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 3/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
DGAT1 O75907 1/20 0.36
PDE7A Q13946 1/20 0.36
LHCGR P22888 1/20 0.36
PPARG P37231 1/20 0.35
MTOR P42345 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
SCHEMBL976880 0.93 LHCGR (0.37) L3MBTL1CCNT1CDK4CCND1CDK9
SCHEMBL976163 0.91 CYP1A2 (0.44) RAB9ASMN1; SMN2DGAT1MTOR
SCHEMBL976914 0.85 CASP3 (0.44) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL976819 0.85 LHCGR (0.37) PIK3CALHCGRMTOR
SCHEMBL3696425 0.85 LHCGR (0.44) RAB9AHDAC1LHCGR
SCHEMBL977839 0.84 NPC1 (0.39) RAB9ASMN1; SMN2LHCGR
SCHEMBL976752 0.82 TRPM8 (0.47) LHCGR
SCHEMBL977977 0.82 LHCGR (0.38) LHCGR
SCHEMBL978585 0.82 RAB9A (0.45) RAB9ASMN1; SMN2LHCGR
SCHEMBL980003 0.81 MAPT (0.38) L3MBTL1RAB9ASMN1; SMN2LHCGR

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 L3MBTL1 3669/4885CCNT1 1724/4885CDK4 191/4885

“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.