SCHEMBL1328239

SCHEMBL1328239

CCOC(CC(C)C)c1cnc(-c2c(CC)cccc2CC)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 13/20 0.35
TSHR P16473 1/20 0.34
LNPEP Q9UIQ6 3/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL1326836 0.87 C5AR1 (0.36) C5AR1
SCHEMBL1328376 0.81 C5AR1 (0.40) C5AR1
SCHEMBL1327100 0.79 C5AR1 (0.38) C5AR1
SCHEMBL1328085 0.78 C5AR1 (0.36) C5AR1TSHR
SCHEMBL1326960 0.77 C5AR1 (0.38) C5AR1TSHR
SCHEMBL1327216 0.75 TP53 (0.38) C5AR1TSHR
SCHEMBL1327420 0.74 C5AR1 (0.39) C5AR1
SCHEMBL1327564 0.74 CNR2 (0.40) C5AR1
SCHEMBL1327003 0.72 C5AR1 (0.48) C5AR1
SCHEMBL1328274 0.72 ABCB1 (0.34) C5AR1

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 3 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-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 (1 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 2/4885TSHR 231/4885LNPEP 2156/4885

“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.