SCHEMBL1328748

SCHEMBL1328748

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.42
C5AR1 P21730 3/20 0.42
MBOAT4 Q96T53 3/20 0.36
GUCY1B2 O75343 3/20 0.35
GUCY1A2 P33402 3/20 0.35
GUCY1A1 Q02108 3/20 0.35
GUCY1B1 Q02153 3/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CRHR1 P34998 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 0.90 C5AR1 (0.46) MRGPRX4C5AR1MBOAT4FFAR4
SCHEMBL1328029 0.88 C5AR1 (0.39) MRGPRX4C5AR1MBOAT4GUCY1B2GUCY1A2
SCHEMBL1327566 0.87 C5AR1 (0.40) MRGPRX4C5AR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL1327656 0.87 C5AR1 (0.39) MRGPRX4C5AR1NPC1L3MBTL1
SCHEMBL1327594 0.85 MRGPRX4 (0.43) MRGPRX4C5AR1MBOAT4FFAR4CRHR1
SCHEMBL1328580 0.84 C5AR1 (0.44) MRGPRX4C5AR1
SCHEMBL1328301 0.82 MRGPRX4 (0.38) MRGPRX4C5AR1MBOAT4GUCY1B2GUCY1A2
SCHEMBL1329325 0.82 AR (0.37) C5AR1
SCHEMBL1327557 0.81 MRGPRX4 (0.42) MRGPRX4C5AR1
SCHEMBL1328364 0.80 C5AR1 (0.39) C5AR1NPC1L3MBTL1

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 MRGPRX4 30/4885C5AR1 2/4885MBOAT4 4290/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MRGPRX4 30/4885C5AR1 2/4885MBOAT4 4290/4885

“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.