SCHEMBL1327735

SCHEMBL1327735

CCc1cccc(CC)c1-c1cc(C)c(COc2cc(F)cc(F)c2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 12/20 0.38
DCPS Q96C86 2/20 0.33
FFAR1 O14842 2/20 0.33
DHFR P00374 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SOD1 P00441 1/20 0.32

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
SCHEMBL1329254 0.88 C5AR1 (0.42) C5AR1
SCHEMBL1328223 0.88 C5AR1 (0.39) C5AR1
SCHEMBL1327866 0.88 C5AR1 (0.39) C5AR1
SCHEMBL1328708 0.86 C5AR1 (0.40) C5AR1FFAR1POLBTSHRL3MBTL1
SCHEMBL1329518 0.86 PPARG (0.38) C5AR1FFAR1POLBTSHRTDP1
SCHEMBL1328305 0.86 MRGPRX4 (0.42) C5AR1POLBL3MBTL1
SCHEMBL1328741 0.85 C5AR1 (0.38) C5AR1DCPSDHFRTSHR
SCHEMBL1328364 0.84 C5AR1 (0.39) C5AR1FFAR1POLBL3MBTL1
SCHEMBL1327287 0.84 BRD4 (0.39) C5AR1DHFRL3MBTL1
SCHEMBL1329437 0.84 C5AR1 (0.39) C5AR1POLBTSHRTDP1L3MBTL1

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 C5AR1 2/4885DCPS 1136/4885FFAR1 108/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885DCPS 1136/4885FFAR1 108/4885

“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.