SCHEMBL1328487

SCHEMBL1328487

CCc1cc(-c2c(CC)cccc2CC)nc(C)c1CN(C)[C@@H]1CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 17/20 0.46
ALDH1A1 P00352 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
P4HB P07237 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1327559 1.00 C5AR1 (0.46) C5AR1ALDH1A1XBP1HTTMEN1
SCHEMBL1327122 1.00 C5AR1 (0.46) C5AR1ALDH1A1XBP1HTTMEN1
SCHEMBL12124820 0.93 C5AR1 (0.45) C5AR1ALDH1A1XBP1HTTMEN1
SCHEMBL1327988 0.93 C5AR1 (0.45) C5AR1ALDH1A1XBP1HTTMEN1
SCHEMBL1328638 0.93 C5AR1 (0.41) C5AR1ALDH1A1XBP1HTTMEN1
SCHEMBL1328641 0.93 C5AR1 (0.41) C5AR1ALDH1A1XBP1HTTMEN1
SCHEMBL1328053 0.93 C5AR1 (0.46) C5AR1
SCHEMBL1327314 0.93 C5AR1 (0.42) C5AR1ALDH1A1XBP1HTTMEN1
SCHEMBL1328051 0.93 C5AR1 (0.46) C5AR1
SCHEMBL1327803 0.92 C5AR1 (0.46) C5AR1ALDH1A1XBP1HTTMEN1

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 4 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-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 2/4885ALDH1A1 1966/4885XBP1 2802/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885ALDH1A1 1966/4885XBP1 2802/4885

“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.