SCHEMBL1327784

SCHEMBL1327784

CCc1cccc(CC)c1-c1nc(C)c(COc2cccc(F)c2F)c(OC)c1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GUCY1B2 O75343 12/20 0.33
GUCY1A2 P33402 12/20 0.33
GUCY1A1 Q02108 12/20 0.33
GUCY1B1 Q02153 12/20 0.33
SGMS2 Q8NHU3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 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
SCHEMBL1329052 0.91 MRGPRX4 (0.36) HTR1ASGMS2KDM4E
SCHEMBL1327500 0.89 C5AR1 (0.34) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL1329946 0.85 MRGPRX4 (0.39)
SCHEMBL1328301 0.83 MRGPRX4 (0.38) FFAR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1329444 0.82 KCNH2 (0.36)
SCHEMBL1328324 0.81 PPARG (0.36) FFAR1
SCHEMBL1328055 0.80 FFAR1 (0.41) FFAR1KMT2A
SCHEMBL1327226 0.80 CD274 (0.33) KDM4E
SCHEMBL1329216 0.80 CD274 (0.33) KDM4E
SCHEMBL1327657 0.79 MEN1 (0.38) KDM4EKMT2A

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 108/4885HTR1A 199/4885SLC6A2 2572/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 FFAR1 108/4885HTR1A 199/4885SLC6A2 2572/4885

“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.