SCHEMBL1327262

SCHEMBL1327262

CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN2CCC[C@@H](c3ccccc3)C2)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.44
DRD3 P35462 3/20 0.43
DRD2 P14416 3/20 0.43
DRD1 P21728 2/20 0.43
DRD4 P21917 2/20 0.43
DRD5 P21918 2/20 0.43
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE2A O00408 1/20 0.37

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
SCHEMBL1327261 1.00 C5AR1 (0.44) C5AR1DRD3DRD2DRD1DRD4
SCHEMBL1328122 1.00 C5AR1 (0.44) C5AR1DRD3DRD2DRD1DRD4
SCHEMBL1329475 0.95 C5AR1 (0.43) C5AR1DRD2KDM4ELMNASMN1; SMN2
SCHEMBL1327395 0.92 DRD2 (0.41) C5AR1DRD2KDM4ELMNASMN1; SMN2
SCHEMBL1330436 0.88 KDM4E (0.43) C5AR1KDM4ELMNASMN1; SMN2POLB
SCHEMBL1329055 0.88 C5AR1 (0.43) C5AR1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL1327695 0.88 DRD2 (0.43) C5AR1DRD3DRD2DRD1DRD4
SCHEMBL1328538 0.88 DRD2 (0.43) C5AR1DRD3DRD2DRD1DRD4
SCHEMBL1327693 0.88 DRD2 (0.43) C5AR1DRD3DRD2DRD1DRD4
SCHEMBL1328466 0.88 KDM4E (0.42) C5AR1KDM4ELMNASMN1; SMN2POLB

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 2/4885DRD3 878/4885DRD2 879/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885DRD3 878/4885DRD2 879/4885

“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.