SCHEMBL976752

SCHEMBL976752

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)Nc1cccnc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.47
PDGFRB P09619 1/20 0.40
LHCGR P22888 4/20 0.40
HTR2C P28335 3/20 0.40
OPRK1 P41145 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
HTR2A P28223 2/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR2B P41595 1/20 0.37
FAAH O00519 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL979157 0.90 TRPM8 (0.46) TRPM8LHCGRHTR2COPRK1TMEM97
SCHEMBL978099 0.87 HTR2C (0.46) TRPM8PDGFRBLHCGRHTR2CHTR2A
SCHEMBL977839 0.86 NPC1 (0.39) TRPM8LHCGRHTR2COPRK1TMEM97
SCHEMBL977977 0.86 LHCGR (0.38) TRPM8LHCGRHTR2COPRK1TMEM97
SCHEMBL980550 0.84 TRPV1 (0.43)
SCHEMBL3696425 0.84 LHCGR (0.44) TRPM8LHCGRHTR2COPRK1TMEM97
SCHEMBL976819 0.84 LHCGR (0.37) TRPM8LHCGRHTR2COPRK1TMEM97
SCHEMBL976880 0.84 LHCGR (0.37) TRPM8LHCGRHTR2COPRK1TMEM97
SCHEMBL978585 0.84 RAB9A (0.45) LHCGRHTR2COPRK1TMEM97SIGMAR1
SCHEMBL977879 0.83 LHCGR (0.44) LHCGRHTR2COPRK1TMEM97SIGMAR1

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 TRPM8 4736/4885PDGFRB 3522/4885LHCGR 2821/4885

“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.