SCHEMBL4176341

SCHEMBL4176341

Cc1ccc2c(N3CCCN(C(=O)OC(C)(C)C)CC3)cccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.53
SKP1 P63208 2/20 0.53
SKP2 Q13309 2/20 0.53
CYP2C9 P11712 2/20 0.48
NCF1 P14598 1/20 0.48
HTR1A P08908 9/20 0.48
HTR1D P28221 9/20 0.48
HTR1B P28222 9/20 0.48
GBA1 P04062 2/20 0.48
PDE10A Q9Y233 1/20 0.47
DRD2 P14416 3/20 0.46
HTR7 P34969 3/20 0.46
DRD3 P35462 3/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
KCNH2 Q12809 3/20 0.46
HTR6 P50406 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL430227 0.96 CYP2C9 (0.52) CKS1BSKP1SKP2CYP2C9NCF1
SCHEMBL6521227 0.86 CKS1B (0.52) CKS1BSKP1SKP2GBA1PDE10A
SCHEMBL425806 0.83 BACE1 (0.51) CKS1BSKP1SKP2NCF1GBA1
SCHEMBL5379011 0.82 GBA1 (0.49) CKS1BSKP1SKP2GBA1
SCHEMBL5523102 0.82 NCF1 (0.72) CKS1BSKP1SKP2NCF1GBA1
SCHEMBL431774 0.81 GBA1 (0.48) CKS1BSKP1SKP2GBA1
SCHEMBL429714 0.81 GBA1 (0.48) CKS1BSKP1SKP2GBA1PDE10A
SCHEMBL428233 0.81 GBA1 (0.48) CKS1BSKP1SKP2NCF1GBA1
SCHEMBL4178112 0.81 NCF1 (0.59) CYP2C9NCF1HTR1AHTR1DHTR1B
SCHEMBL20140758 0.81 CKS1B (0.60) CKS1BSKP1SKP2PDE10AMEN1

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-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 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 (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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX CKS1B 3396/4885SKP1 2121/4885SKP2 4321/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX CKS1B 3271/4885SKP1 1450/4885SKP2 4233/4885

“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.