SCHEMBL5214538

SCHEMBL5214538

CC(C)(C)OC(=O)N1CCC(Cc2cc([N+](=O)[O-])c(O)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
GPR119 Q8TDV5 10/20 0.43
SCN9A Q15858 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
GPR174 Q9BXC1 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL27583206 0.84 HTT (0.44) MAPTALDH1A1LMNAGPR174SMN1; SMN2
SCHEMBL5215471 0.83 SCN9A (0.44) DPP4GPR119SCN9AMAPTALDH1A1
SCHEMBL7254865 0.83 DPP4 (0.53) DPP4GPR119SCN9AMAPTKDM4E
SCHEMBL31043946 0.82 LMNA (0.52) DPP4GPR119SCN9AMAPTALDH1A1
SCHEMBL5222332 0.82 GPR119 (0.43) DPP4GPR119SCN9AMAPTALDH1A1
SCHEMBL5216291 0.81 SMN1; SMN2 (0.45) GPR119MAPTALDH1A1LMNAKDM4E
SCHEMBL1872135 0.78 DPP4 (0.58) DPP4GPR119SCN9AMAPTKDM4E
SCHEMBL4239855 0.77 DPP4 (0.54) DPP4GPR119KDM4EPKMTLR7
SCHEMBL8221482 0.76 MAPT (0.60) MAPTALDH1A1LMNAGPR174SMN1; SMN2
SCHEMBL20971728 0.76 DPP4 (0.53) DPP4GPR119SCN9AKDM4EPKM

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
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 DPP4 2277/4885GPR119 1394/4885SCN9A 170/4885

“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.