SCHEMBL1329172

SCHEMBL1329172

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cccc(F)c2F)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
C5AR1 P21730 2/20 0.37
GUCY1B2 O75343 10/20 0.35
GUCY1A2 P33402 10/20 0.35
GUCY1A1 Q02108 10/20 0.35
GUCY1B1 Q02153 10/20 0.35
CXCR2 P25025 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GABRA5 P31644 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL1328222 0.90 MRGPRX4 (0.38) C5AR1
SCHEMBL1328648 0.90 C5AR1 (0.38) FFAR1C5AR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL1329131 0.89 C5AR1 (0.37) C5AR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1329680 0.89 DHFR (0.40) FFAR1C5AR1FFAR4
SCHEMBL1328055 0.89 FFAR1 (0.41) FFAR1C5AR1
SCHEMBL1327730 0.88 C5AR1 (0.42) C5AR1HTR1AFFAR4
SCHEMBL1329448 0.87 FFAR4 (0.40) FFAR1C5AR1FFAR4
SCHEMBL1328955 0.87 C5AR1 (0.37) FFAR1C5AR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL1327763 0.86 FFAR4 (0.41) C5AR1FFAR4
SCHEMBL1329454 0.86 FFAR1 (0.38) FFAR1C5AR1

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 FFAR1 108/4885C5AR1 2/4885GUCY1B2 956/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 FFAR1 108/4885C5AR1 2/4885GUCY1B2 956/4885

“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.