SCHEMBL1329361

SCHEMBL1329361

CCc1cccc(CC)c1-c1ccc(CN2CCCC(c3ccccc3OC)C2)c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PDE2A O00408 2/20 0.45
PROKR1 Q8TCW9 2/20 0.45
PTPN11 Q06124 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
DRD2 P14416 1/20 0.41
C5AR1 P21730 2/20 0.41

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
SCHEMBL1327864 0.84 DRD2 (0.43) MEN1KMT2APDE2APROKR1MAPK1
SCHEMBL1329055 0.83 C5AR1 (0.43) MEN1KMT2APDE2APROKR1KDM4E
SCHEMBL1327959 0.78 DRD2 (0.45) KDM4EDRD2
SCHEMBL12125022 0.73 DRD2 (0.59) MEN1KMT2APROKR1DRD2
Hydrochloric Acid SCHEMBL10352094 0.70 DRD2 (0.71) MEN1KMT2ADRD2
SCHEMBL1327695 0.69 DRD2 (0.43) DRD2C5AR1
SCHEMBL1327262 0.69 C5AR1 (0.44) KMT2APDE2AKDM4EDRD2C5AR1
SCHEMBL1328538 0.69 DRD2 (0.43) DRD2C5AR1
SCHEMBL1327693 0.69 DRD2 (0.43) DRD2C5AR1
SCHEMBL1327261 0.69 C5AR1 (0.44) KMT2APDE2AKDM4EDRD2C5AR1

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 MEN1 3563/4885KMT2A 3960/4885PDE2A 628/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MEN1 3563/4885KMT2A 3960/4885PDE2A 628/4885

“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.