SCHEMBL1328708

SCHEMBL1328708

CCc1cccc(CC)c1-c1cc(C)c(COc2ccccc2)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 5/20 0.40
KCNH2 Q12809 1/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
FFAR1 O14842 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1328454 0.92 CCNB2 (0.37) C5AR1CCNB2CDK1CDK4CCNB1
SCHEMBL1327497 0.92 PTGER4 (0.43) C5AR1CCNB2CDK1CDK4CCNB1
SCHEMBL1327287 0.90 BRD4 (0.39) C5AR1CCNB2CDK1CDK4CCNB1
SCHEMBL1329374 0.89 ALOX5 (0.40) C5AR1CCNB2CDK1CDK4CCNB1
SCHEMBL1327866 0.89 C5AR1 (0.39) C5AR1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL1328223 0.89 C5AR1 (0.39) C5AR1SMN1; SMN2MAPTKDM4E
SCHEMBL1329437 0.88 C5AR1 (0.39) C5AR1POLBMAPTKDM4EATM
SCHEMBL1330008 0.88 C5AR1 (0.44) C5AR1
SCHEMBL1327189 0.87 FFAR1 (0.39) C5AR1FFAR1RAB9A
SCHEMBL1327735 0.86 C5AR1 (0.38) C5AR1FFAR1POLBL3MBTL1TSHR

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 2/4885KCNH2 1245/4885CCNB2 2200/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885KCNH2 1245/4885CCNB2 2200/4885

“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.