SCHEMBL1328648

SCHEMBL1328648

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2c(F)cccc2F)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.38
DHODH Q02127 1/20 0.35
GUCY1B2 O75343 5/20 0.32
GUCY1A2 P33402 5/20 0.32
GUCY1A1 Q02108 5/20 0.32
GUCY1B1 Q02153 5/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FFAR1 O14842 1/20 0.31

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
SCHEMBL1330100 0.93 KMT2A (0.36) C5AR1DHODHMEN1RAB9AKMT2A
SCHEMBL1329172 0.90 FFAR1 (0.39) C5AR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1328339 0.89 C5AR1 (0.35) C5AR1FFAR4
SCHEMBL1329778 0.88 C5AR1 (0.40) C5AR1
SCHEMBL1329454 0.88 FFAR1 (0.38) C5AR1FFAR1
SCHEMBL1328473 0.87 C5AR1 (0.38) C5AR1KMT2ALMNAALDH1A1
SCHEMBL1328741 0.87 C5AR1 (0.38) C5AR1
SCHEMBL1327756 0.87 C5AR1 (0.37) C5AR1FFAR1
SCHEMBL1329131 0.87 C5AR1 (0.37) C5AR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1328955 0.87 C5AR1 (0.37) C5AR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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 2/4885DHODH 3637/4885GUCY1B2 956/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885DHODH 3637/4885GUCY1B2 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.