SCHEMBL1328301

SCHEMBL1328301

CCc1cccc(CC)c1-c1nc(C)c(COc2cc(C(F)(F)F)ccc2F)c(OC)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.38
MBOAT4 Q96T53 3/20 0.36
C5AR1 P21730 2/20 0.36
GUCY1B2 O75343 2/20 0.34
GUCY1A2 P33402 2/20 0.34
GUCY1A1 Q02108 2/20 0.34
GUCY1B1 Q02153 2/20 0.34
CRHR1 P34998 2/20 0.33
FFAR4 Q5NUL3 2/20 0.32
DHFR P00374 1/20 0.32
PDE2A O00408 1/20 0.32
PDE6D O43924 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE6H Q13956 1/20 0.32
PDE10A Q9Y233 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR2 O15552 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
SCHEMBL1327500 0.88 C5AR1 (0.34) C5AR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1327784 0.83 FFAR1 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1FFAR1
SCHEMBL1329945 0.83 NR1H4 (0.36) MRGPRX4CRHR1FFAR4
SCHEMBL1327299 0.83 C5AR1 (0.46) MRGPRX4MBOAT4C5AR1FFAR4FFAR1
SCHEMBL1329946 0.83 MRGPRX4 (0.39) MRGPRX4FFAR4
SCHEMBL1328748 0.82 MRGPRX4 (0.42) MRGPRX4MBOAT4C5AR1GUCY1B2GUCY1A2
SCHEMBL1329052 0.79 MRGPRX4 (0.36) MRGPRX4FFAR4
SCHEMBL1328324 0.77 PPARG (0.36) FFAR1
SCHEMBL1328029 0.77 C5AR1 (0.39) MRGPRX4MBOAT4C5AR1GUCY1B2GUCY1A2
SCHEMBL1329216 0.77 CD274 (0.33) C5AR1CRHR1

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

“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.