SCHEMBL4495204

SCHEMBL4495204

CC(C)(C)OC(=O)NC1CCN(CCc2ccnc3ccc(C#N)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
KCNA3 P22001 1/20 0.50
AAK1 Q2M2I8 3/20 0.49
CCNC P24863 2/20 0.47
CDK8 P49336 2/20 0.47
IRAK4 Q9NWZ3 1/20 0.45
DRD3 P35462 3/20 0.45
NSD2 O96028 1/20 0.44
KCNH2 Q12809 5/20 0.44
KDM4D Q6B0I6 1/20 0.43

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
SCHEMBL14610965 0.84 CDK8 (0.42) DRD2CCNCCDK8IRAK4DRD3
SCHEMBL5308578 0.82 KCNH2 (0.49) DRD2CCNCCDK8IRAK4DRD3
SCHEMBL5305787 0.78 CCR3 (0.42) DRD2CCNCCDK8IRAK4DRD3
SCHEMBL5305790 0.78 CCR5 (0.43) DRD2CCNCCDK8DRD3KCNH2
SCHEMBL31623742 0.77 KCNH2 (0.66) KCNA3KCNH2
SCHEMBL30902462 0.77 DRD2 (0.50) DRD2KCNA3AAK1KDM4D
SCHEMBL14610728 0.77 KCNH2 (0.66) KCNA3KCNH2
SCHEMBL12002207 0.77 KCNH2 (0.54) DRD2KCNA3AAK1KCNH2
SCHEMBL1714536 0.76 HRH2 (0.60) DRD2KCNA3
SCHEMBL4497675 0.76 DRD2 (0.39) DRD2CCNCCDK8IRAK4DRD3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 WO 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-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 DRD2 311/4885KCNA3 2055/4885AAK1 2890/4885

“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.