SCHEMBL4033618

SCHEMBL4033618

CCOC(=O)C1CCC(Nc2nc(C(C)C)c3ccccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.47
USP2 O75604 1/20 0.44
WHR1 P49842 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
APP P05067 2/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
MCHR1 Q99705 4/20 0.41
ADRA2A P08913 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4033615 1.00 NPY5R (0.47) NPY5RUSP2WHR1MAPTKDM4E
SCHEMBL5528648 0.86 WHR1 (0.50) NPY5RWHR1APPBCHEACHE
SCHEMBL4209993 0.85 NPY5R (0.54) NPY5RWHR1APPBCHEACHE
SCHEMBL4030123 0.83 MCHR1 (0.60) NPY5RMCHR1ADRA2A
SCHEMBL4030121 0.83 MCHR1 (0.60) NPY5RMCHR1ADRA2A
SCHEMBL5528649 0.78 NPY5R (0.47) NPY5RUSP2WHR1APPBCHE
Trifluoroacetic Acid SCHEMBL5530304 0.77 EPHX2 (0.57) USP2APPBCHEACHEALDH1A1
SCHEMBL4217522 0.75 EPHX2 (0.51) NPY5RMAPTTP53APPBCHE
SCHEMBL4217529 0.75 EPHX2 (0.51) NPY5RMAPTTP53APPBCHE
SCHEMBL5444084 0.74 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2ANPSR1

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
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 NPY5R 17/4885USP2 3213/4885WHR1 2082/4885

“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.