SCHEMBL1328940

SCHEMBL1328940

CCc1cccc(CC)c1-c1cc(OC)c(COc2ccccc2OC(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
C5AR1 P21730 6/20 0.40
NISCH Q9Y2I1 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ABCB1 P08183 3/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1329597 0.86 L3MBTL1 (0.42) C5AR1NISCHKDM4EL3MBTL1MEN1
SCHEMBL1329473 0.85 RECQL (0.43) C5AR1KDM4EL3MBTL1HTR1AADRA1D
SCHEMBL1330224 0.84 ABCB1 (0.44) C5AR1NISCHHTR1AABCB1
SCHEMBL1329049 0.83 C5AR1 (0.44) C5AR1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1329080 0.82 C5AR1 (0.41) C5AR1L3MBTL1MEN1KMT2AHTR1A
SCHEMBL1327629 0.82 SLC6A2 (0.38) C5AR1KDM4EL3MBTL1POLBABCB1
SCHEMBL1329258 0.82 ABCB1 (0.45) NISCHHTR1AADRA1DADRA1AADRA1B
SCHEMBL1328930 0.81 L3MBTL1 (0.53) NPSR1C5AR1KDM4EL3MBTL1MEN1
SCHEMBL1328913 0.81 ALDH1A1 (0.40) C5AR1KDM4EL3MBTL1MEN1POLB
SCHEMBL1328404 0.80 ALDH1A1 (0.50) C5AR1KDM4EL3MBTL1MEN1POLB

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-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 claimed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
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 (2 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 NPSR1 169/4885C5AR1 2/4885NISCH 3285/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 NPSR1 169/4885C5AR1 2/4885NISCH 3285/4885

“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.