SCHEMBL1328332

SCHEMBL1328332

CCOC(c1cnc(-c2c(CC)cccc2CC)cc1OC(C)C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 15/20 0.41
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1327079 0.93 C5AR1 (0.40) C5AR1TSHRHSD17B10APOBEC3GHPGD
SCHEMBL1327076 0.93 C5AR1 (0.40) C5AR1TSHRHSD17B10APOBEC3GHPGD
SCHEMBL1327159 0.93 C5AR1 (0.40) C5AR1TSHRHSD17B10APOBEC3GHPGD
SCHEMBL1328925 0.91 C5AR1 (0.40) C5AR1TSHRHSD17B10APOBEC3GHPGD
SCHEMBL1328553 0.90 C5AR1 (0.39) C5AR1SLC6A2SLC6A4
SCHEMBL2141072 0.81 BRD4 (0.39)
SCHEMBL1328368 0.80 C5AR1 (0.39) C5AR1TSHRHSD17B10APOBEC3GHPGD
SCHEMBL1327868 0.78 C5AR1 (0.42) C5AR1TSHRHSD17B10APOBEC3GHPGD
SCHEMBL1328085 0.78 C5AR1 (0.36) C5AR1TSHR
SCHEMBL1326933 0.77 C5AR1 (0.43) C5AR1TSHRHSD17B10APOBEC3GHPGD

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 C5AR1 2/4885TSHR 231/4885HSD17B10 4436/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885TSHR 231/4885HSD17B10 4436/4885

“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.