SCHEMBL1327656

SCHEMBL1327656

CCc1cccc(CC)c1-c1cc(C)c(COc2cc(C)ccc2F)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 9/20 0.39
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
AKR1C3 P42330 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
PPARG P37231 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1327566 0.91 C5AR1 (0.40) C5AR1L3MBTL1MRGPRX4LMNAMAPT
SCHEMBL1329248 0.89 C5AR1 (0.42) C5AR1KDM4EL3MBTL1
SCHEMBL1328748 0.87 MRGPRX4 (0.42) C5AR1L3MBTL1MRGPRX4NPC1
SCHEMBL1328955 0.86 C5AR1 (0.37) C5AR1KDM4EL3MBTL1MRGPRX4AKR1C3
SCHEMBL1327557 0.85 MRGPRX4 (0.42) C5AR1MRGPRX4
SCHEMBL1329906 0.84 LMNA (0.37) C5AR1KDM4EL3MBTL1MRGPRX4LMNA
SCHEMBL1328364 0.84 C5AR1 (0.39) C5AR1L3MBTL1LMNAMAPTNPC1
SCHEMBL1329518 0.83 PPARG (0.38) C5AR1L3MBTL1MRGPRX4PPARGTSHR
SCHEMBL1327735 0.81 C5AR1 (0.38) C5AR1L3MBTL1TSHR
SCHEMBL1329229 0.81 C5AR1 (0.44) C5AR1

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 2/4885KDM4E 2088/4885L3MBTL1 3202/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885KDM4E 2088/4885L3MBTL1 3202/4885

“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.