SCHEMBL976819

SCHEMBL976819

CN(C)c1ccc(NC(=O)N2CCc3nc(C(N)=O)sc3C2c2ccccc2N)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 4/20 0.37
OPRK1 P41145 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TRPM8 Q7Z2W7 3/20 0.36
CYP2C8 P10632 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
KCNH2 Q12809 2/20 0.35
PIK3CA P42336 3/20 0.35
MTOR P42345 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL980003 0.88 MAPT (0.38) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL3696425 0.87 LHCGR (0.44) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL977839 0.86 NPC1 (0.39) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL976880 0.85 LHCGR (0.37) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL976170 0.85 L3MBTL1 (0.45) LHCGRPIK3CAMTOR
SCHEMBL977409 0.85 LIMK1 (0.36) LHCGR
SCHEMBL976752 0.84 TRPM8 (0.47) LHCGROPRK1TMEM97SIGMAR1HTR2A
SCHEMBL977977 0.84 LHCGR (0.38) LHCGROPRK1TMEM97SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL979201 0.84 LIMK1 (0.36) LHCGR
SCHEMBL978585 0.84 RAB9A (0.45) LHCGROPRK1TMEM97SIGMAR1HTR2A

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 3 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

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 2821/4885OPRK1 4144/4885TMEM97 4625/4885

“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.