SCHEMBL1329446

SCHEMBL1329446

CCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(F)c(C(F)(F)F)c2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 15/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PARP10 Q53GL7 2/20 0.38
PARP15 Q460N3 1/20 0.38
AR P10275 2/20 0.36
PARP14 Q460N5 1/20 0.36

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
SCHEMBL1329325 0.90 AR (0.37) C5AR1AR
SCHEMBL1327645 0.90 C5AR1 (0.35) C5AR1AR
SCHEMBL1328923 0.89 C5AR1 (0.42) C5AR1MRGPRX4AR
SCHEMBL1327460 0.89 C5AR1 (0.43) C5AR1PARP10PARP15PARP14
SCHEMBL1329893 0.88 C5AR1 (0.43) C5AR1PARP10PARP15PARP14
SCHEMBL1327759 0.86 C5AR1 (0.47) C5AR1MRGPRX4
SCHEMBL1327299 0.84 C5AR1 (0.46) C5AR1MRGPRX4
SCHEMBL1327712 0.84 C5AR1 (0.43) C5AR1PARP10PARP15PARP14
SCHEMBL1327590 0.84 PARP10 (0.41) C5AR1MRGPRX4PARP10PARP15AR
SCHEMBL2138645 0.84 MRGPRX4 (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 30/4885PARP10 644/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885MRGPRX4 30/4885PARP10 644/4885

“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.