SCHEMBL1329498

SCHEMBL1329498

CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(Cc2ccccc2)CC(C)C)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 11/20 0.38
BCHE P06276 1/20 0.33
CRHR1 P34998 1/20 0.33
RORC P51449 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL1329675 0.94 C5AR1 (0.40) C5AR1CRHR1MEN1KMT2ACYP1A2
SCHEMBL1329046 0.92 C5AR1 (0.37) C5AR1BCHECRHR1MEN1KMT2A
SCHEMBL1327600 0.92 KDM4E (0.40) C5AR1BCHECRHR1CYP1A2CYP2D6
SCHEMBL1328937 0.91 C5AR1 (0.40) C5AR1
SCHEMBL1327365 0.90 C5AR1 (0.38) C5AR1BCHECRHR1RORCMEN1
SCHEMBL1327429 0.89 C5AR1 (0.39) C5AR1BCHECRHR1MEN1KMT2A
SCHEMBL1328442 0.89 C5AR1 (0.37) C5AR1BCHECRHR1SMN1; SMN2
SCHEMBL1330124 0.88 C5AR1 (0.37) C5AR1BCHECRHR1MEN1KMT2A
SCHEMBL1327478 0.88 C5AR1 (0.38) C5AR1BCHE
SCHEMBL1328443 0.88 C5AR1 (0.37) C5AR1BCHECRHR1HDAC3HDAC4

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 2/4885BCHE 3774/4885CRHR1 326/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885BCHE 3774/4885CRHR1 326/4885

“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.