SCHEMBL5216291

SCHEMBL5216291

CC(C)(C)OC(=O)N1CCC(Cc2ccc(O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
NPBWR1 P48145 1/20 0.45
KMT2A Q03164 1/20 0.45
MCHR1 Q99705 1/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
NR1D1 P20393 1/20 0.44
GPR119 Q8TDV5 6/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL5222332 0.83 GPR119 (0.43) SMN1; SMN2HTTALDH1A1MEN1NPBWR1
SCHEMBL4773795 0.83 LMNA (0.61) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL5369713 0.83 HTT (0.54) SMN1; SMN2HTTALDH1A1MEN1NPBWR1
SCHEMBL5362064 0.83 ALDH1A1 (0.50) SMN1; SMN2HTTALDH1A1MEN1NPBWR1
SCHEMBL2544691 0.82 KDM4E (0.47) HTTALDH1A1LMNAMAPTKDM4E
SCHEMBL5214538 0.81 DPP4 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL3848500 0.81 KDM4E (0.48) LMNAMAPTKDM4EPKMGPR119
SCHEMBL28947907 0.80 KDM4E (0.47) MAPTKDM4EPKMGPR119THRB
SCHEMBL6115159 0.80 KDM4E (0.47) KDM4EPKMGPR119FAAHMGLL
SCHEMBL5215440 0.80 GPR119 (0.49) ALDH1A1KMT2ALMNAMAPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244726-B2 Heterocyclic compounds possessing affinity at 5HT1 -type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2007-07-17 US disclosed
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
EP-1476444-B1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2006-04-12 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
EP-1476444-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-08-21 WO 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 (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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 SMN1; SMN2 1196/4885HTT 2603/4885ALDH1A1 1181/4885
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy HTR3C, HTR1A, HTR2C SMN1; SMN2 1940/4885HTT 1328/4885ALDH1A1 866/4885

“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.