SCHEMBL1330231

SCHEMBL1330231

CCOc1cc(-c2c(CC)cccc2CC)nc(C)c1CN1C[C@@H](C)C[C@H](C)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 10/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 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
SCHEMBL1328096 1.00 C5AR1 (0.39) C5AR1MEN1KMT2APDCD1CD274
SCHEMBL2138632 0.90 CYP2A13 (0.42) C5AR1KDM4ELMNA
SCHEMBL1328483 0.88 C5AR1 (0.41) C5AR1KDM4ELMNA
SCHEMBL1328010 0.85 C5AR1 (0.40) C5AR1MEN1KMT2APDCD1CD274
SCHEMBL1329264 0.83 C5AR1 (0.36) C5AR1MEN1KMT2APDCD1CD274
SCHEMBL1327260 0.78 LMNA (0.34) C5AR1LMNA
SCHEMBL1329213 0.78 LMNA (0.34) C5AR1LMNA
SCHEMBL1327258 0.78 LMNA (0.34) C5AR1LMNA
SCHEMBL1327264 0.78 LMNA (0.34) C5AR1LMNA
SCHEMBL1327995 0.78 C5AR1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885MEN1 3563/4885KMT2A 3960/4885

“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.