SCHEMBL1328448

SCHEMBL1328448

CCOC1CN(Cc2c(OC(C)C)cc(-c3c(CC)cccc3CC)nc2C)CCO1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 5/20 0.37
SRC P12931 1/20 0.35
DRD4 P21917 2/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL1327740 0.86 MOGAT2 (0.41) C5AR1
SCHEMBL1329475 0.82 C5AR1 (0.43) C5AR1KDM4ELMNASMN1; SMN2POLB
SCHEMBL1328948 0.82 C5AR1 (0.42) C5AR1KDM4ELMNASMN1; SMN2POLB
SCHEMBL1327167 0.82 CYP2A13 (0.41) C5AR1KDM4ELMNASMN1; SMN2GAA
SCHEMBL1328483 0.81 C5AR1 (0.41) C5AR1KDM4ELMNASMN1; SMN2POLB
SCHEMBL2139080 0.81 MEN1 (0.43) C5AR1KDM4ELMNASMN1; SMN2POLB
SCHEMBL2140205 0.81 MEN1 (0.43) C5AR1KDM4ELMNASMN1; SMN2POLB
SCHEMBL1330436 0.81 KDM4E (0.43) C5AR1KDM4ELMNASMN1; SMN2POLB
SCHEMBL1328466 0.80 KDM4E (0.42) C5AR1KDM4ELMNASMN1; SMN2POLB
SCHEMBL1327605 0.80 C5AR1 (0.36) C5AR1KDM4ELMNASMN1; SMN2S1PR1

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 2/4885SRC 1762/4885DRD4 1071/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885SRC 1762/4885DRD4 1071/4885

“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.