SCHEMBL1328580

SCHEMBL1328580

CCc1cccc(CC)c1-c1cc(OC2CCCC2)c(COc2cc(C(F)(F)F)ccc2F)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 8/20 0.44
MRGPRX4 Q96LA9 3/20 0.35
TRPV1 Q8NER1 2/20 0.35
SCD O00767 1/20 0.35
SLC6A4 P31645 3/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL1327299 0.86 C5AR1 (0.46) C5AR1MRGPRX4
SCHEMBL1328748 0.84 MRGPRX4 (0.42) C5AR1MRGPRX4
SCHEMBL1328029 0.84 C5AR1 (0.39) C5AR1MRGPRX4HTR2C
SCHEMBL1328727 0.79 C5AR1 (0.43) C5AR1
SCHEMBL1327594 0.79 MRGPRX4 (0.43) C5AR1MRGPRX4
SCHEMBL1329248 0.75 C5AR1 (0.42) C5AR1
SCHEMBL1329229 0.75 C5AR1 (0.44) C5AR1
SCHEMBL1327759 0.75 C5AR1 (0.47) C5AR1MRGPRX4
SCHEMBL1328301 0.74 MRGPRX4 (0.38) C5AR1MRGPRX4
SCHEMBL1329221 0.74 C5AR1 (0.42) C5AR1MRGPRX4

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 2/4885MRGPRX4 30/4885TRPV1 364/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885MRGPRX4 30/4885TRPV1 364/4885

“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.