SCHEMBL2140644

SCHEMBL2140644

CCc1cccc(CC)c1-c1cc(CNC(=O)CN2CCOCC2)c(CN2CCc3ccccc3C2CC(C)C)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR4 P51679 9/20 0.35
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
P2RX7 Q99572 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HSD17B10 Q99714 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 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
SCHEMBL1330386 0.89 CYP2A13 (0.34) OPRM1MAPK1MEN1ALDH1A1HPGD
SCHEMBL2142672 0.82 C5AR1 (0.34) OPRM1MEN1KMT2A
SCHEMBL1329772 0.82 C5AR1 (0.36) OPRM1MEN1ALDH1A1KMT2AMTNR1B
SCHEMBL1328615 0.81 C5AR1 (0.38) OPRM1MEN1ALDH1A1KMT2AMTNR1B
SCHEMBL1329132 0.80 C5AR1 (0.33) OPRM1MEN1KMT2A
SCHEMBL1328550 0.80 C5AR1 (0.38) MEN1KMT2A
SCHEMBL1329369 0.80 ALDH1A1 (0.33) OPRM1HTTMEN1ALDH1A1KMT2A
SCHEMBL1330541 0.78 C5AR1 (0.45)
SCHEMBL1329103 0.78 C5AR1 (0.33) OPRM1MEN1KMT2A
SCHEMBL1328024 0.77 C5AR1 (0.39) OPRM1MEN1KMT2A

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-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 OPRM1 674/4885MAPK1 1309/4885USP2 3954/4885

“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.