SCHEMBL977977

SCHEMBL977977

NC(=O)c1nc2c(s1)C(c1ccccc1N)N(C(=O)Nc1ccc(-c3ccccc3)cc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TRPM8 Q7Z2W7 4/20 0.37
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
KCNH2 Q12809 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
SCHEMBL977839 0.91 NPC1 (0.39) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL978995 0.90 LHCGR (0.47) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL979157 0.90 TRPM8 (0.46) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL977879 0.89 LHCGR (0.44) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL980003 0.89 MAPT (0.38) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL978518 0.86 LHCGR (0.42) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL976752 0.86 TRPM8 (0.47) LHCGRHTR2AHTR2COPRK1HTR2B
SCHEMBL975341 0.85 TP53 (0.41) LHCGRTSHR
SCHEMBL978816 0.85 PTGDR2 (0.35)
SCHEMBL976590 0.85 TRPC3 (0.45) TSHR

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 LHCGR 2821/4885HTR2A 3871/4885HTR2C 3359/4885

“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.