SCHEMBL1329422

SCHEMBL1329422

CCCc1cccc(OCc2c(C)nc(-c3c(CC)cccc3CC)c(C)c2OC)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.39
ABCB1 P08183 10/20 0.38
HTR1A P08908 3/20 0.36
DRD2 P14416 3/20 0.36
DHFR P00374 1/20 0.35
BCHE P06276 3/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MAOB P27338 2/20 0.34
ACHE P22303 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
SCHEMBL1327657 0.87 MEN1 (0.38) CYSLTR2CYSLTR1MAOB
SCHEMBL1329444 0.86 KCNH2 (0.36) MAOB
SCHEMBL1329334 0.84 PTGER4 (0.40) DHFR
SCHEMBL1328554 0.84 MAOB (0.37) MAOB
SCHEMBL1328302 0.84 MAPT (0.38)
SCHEMBL1328502 0.84 KDM4E (0.39)
SCHEMBL1327226 0.84 CD274 (0.33) MAOB
SCHEMBL1329216 0.84 CD274 (0.33)
SCHEMBL1330579 0.83 ABCB1 (0.41) SLC22A12ABCB1HTR1ADRD2BCHE
SCHEMBL1329202 0.83 RAB9A (0.37) MAOBACHE

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 SLC22A12 4405/4885ABCB1 2107/4885HTR1A 199/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 SLC22A12 4405/4885ABCB1 2107/4885HTR1A 199/4885

“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.