SCHEMBL1328344

SCHEMBL1328344

CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN2CCCCCC2c2ccccc2)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.41
CFB P00751 8/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 7/20 0.39
DRD3 P35462 7/20 0.39

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
SCHEMBL1328508 0.89 GAA (0.48) C5AR1CFBGAAKMT2ADRD2
SCHEMBL1328224 0.88 C5AR1 (0.41) C5AR1CFBGAAKMT2A
SCHEMBL1327969 0.85 C5AR1 (0.41) C5AR1
SCHEMBL1327727 0.84 C5AR1 (0.42) C5AR1KMT2A
SCHEMBL1327366 0.84 C5AR1 (0.42) C5AR1GAA
SCHEMBL1327626 0.83 C5AR1 (0.41) C5AR1KMT2A
SCHEMBL2139080 0.82 MEN1 (0.43) C5AR1GAAKMT2ADRD2DRD3
SCHEMBL2140205 0.82 MEN1 (0.43) C5AR1GAAKMT2ADRD2DRD3
SCHEMBL1328912 0.82 C5AR1 (0.40) C5AR1KMT2A
SCHEMBL1328062 0.82 KDM4E (0.52) C5AR1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 C5AR1 2/4885CFB 143/4885GAA 4839/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885CFB 143/4885GAA 4839/4885

“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.