SCHEMBL4718485

SCHEMBL4718485

CC(C)(C)c1ccc(N2CCc3cccc(N)c3C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.46
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
BCAT2 O15382 2/20 0.41
PARP1 P09874 2/20 0.39
ADORA2A P29274 1/20 0.37
CRBN Q96SW2 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD1 P21728 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL4408763 0.86 PARP1 (0.49) DGAT1DRD2DRD3KCNH2PARP1
SCHEMBL4718611 0.81 HSD11B1 (0.41) DGAT1DRD2DRD3KCNH2MAPT
SCHEMBL2479231 0.76 ALDH1A1 (0.51) DRD2DRD3KCNH2KDM4EMAPT
SCHEMBL4716504 0.74 FLT1 (0.49) DGAT1DRD2DRD3KCNH2TRPV1
SCHEMBL1557572 0.73 PARP1 (0.43) DRD2DRD3PARP1ADORA2ACRBN
SCHEMBL4409797 0.71 ADORA2A (0.70) ADORA2AKDM4EMAPTKMT2AHSPA1A
SCHEMBL4408038 0.71 POLB (0.44) DGAT1DRD2DRD3KCNH2PARP1
SCHEMBL4406914 0.71 POLB (0.47) DGAT1DRD2DRD3KCNH2PARP1
SCHEMBL3049225 0.71 DGAT1 (0.65) DGAT1PDGFRBKDR
SCHEMBL3040583 0.69 DGAT1 (0.48) DGAT1DRD2DRD3KCNH2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 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 (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-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 DGAT1 3104/4885DRD2 3576/4885DRD3 3780/4885

“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.