SCHEMBL978099

SCHEMBL978099

CC(C)c1ccc(N)c(C2c3sc(C(N)=O)nc3CCN2C(=O)Nc2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
HTR2A P28223 5/20 0.46
TRPM8 Q7Z2W7 3/20 0.39
LHCGR P22888 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.35
P2RX4 Q99571 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
BRAF P15056 1/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL976752 0.87 TRPM8 (0.47) HTR2CHTR2ATRPM8LHCGRPDGFRB
SCHEMBL978490 0.87 LHCGR (0.40) HTR2CHTR2ATRPM8LHCGRTP53
SCHEMBL979680 0.86 TRPV1 (0.38) TRPV1CYP3A4
SCHEMBL978949 0.85 MAPT (0.35) TRPM8LHCGRNPC1RAB9APOLB
SCHEMBL978084 0.85 LHCGR (0.42) LHCGRRAB9AMEN1TP53MAPT
SCHEMBL976614 0.85 SHMT2 (0.40) LHCGRNPC1POLBTP53MAPT
SCHEMBL979157 0.78 TRPM8 (0.46) HTR2CHTR2ATRPM8LHCGRHTR2B
SCHEMBL976015 0.77 MAPT (0.38) HTR2CHTR2ATRPM8LHCGRNPC1
SCHEMBL976902 0.77 LHCGR (0.45) LHCGRTP53MAPT
SCHEMBL977839 0.75 NPC1 (0.39) HTR2CHTR2ATRPM8LHCGRNPC1

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 HTR2C 3359/4885HTR2A 3871/4885TRPM8 4736/4885

“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.