SCHEMBL1327752

SCHEMBL1327752

CCc1cccc(CC)c1-c1ccc(COc2cc(C)cc(C)c2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
C5AR1 P21730 2/20 0.34
FFAR1 O14842 2/20 0.33
TP53 P04637 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2141043 0.86 HTR7 (0.38) RXFP1POLBMAPTKDM4EHTT
SCHEMBL1328898 0.86 BRD4 (0.40) MAPTKDM4ESMN1; SMN2CCNB2CDK1
SCHEMBL1329430 0.85 ALOX5 (0.42) MAPTKDM4EHTTSMN1; SMN2CCNB2
SCHEMBL1328775 0.85 POLB (0.41) POLBMAPTKDM4ESMN1; SMN2CCNB2
SCHEMBL1328705 0.83 PTGER4 (0.47) SMN1; SMN2CCNB2CDK1CDK4CCNB1
SCHEMBL1329619 0.83 CCNB2 (0.39) MAPTKDM4EHTTSMN1; SMN2CCNB2
SCHEMBL1328223 0.82 C5AR1 (0.39) MAPTKDM4EHTTSMN1; SMN2C5AR1
SCHEMBL1329129 0.82 CYSLTR2 (0.38) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1327289 0.80 C5AR1 (0.41) C5AR1
SCHEMBL1329240 0.80 FFAR1 (0.41) MAPTFFAR1

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 RXFP1 146/4885POLB 4733/4885MAPT 4726/4885

“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.