SCHEMBL5215440

SCHEMBL5215440

CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.49
KMT2A Q03164 1/20 0.47
MGLL Q99685 2/20 0.46
STS P08842 7/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL14655082 0.85 KMT2A (0.54) GPR119KMT2ASTSPTPN2PTPN1
SCHEMBL4432015 0.84 MAPT (0.53) KMT2AMAPTALDH1A1LMNA
SCHEMBL5215797 0.83 GPR119 (0.44) GPR119KMT2ASTSMAPTALDH1A1
SCHEMBL5369253 0.81 STS (0.46) GPR119KMT2ASTSMAPTALDH1A1
SCHEMBL5216291 0.80 SMN1; SMN2 (0.45) GPR119KMT2AMGLLMAPTALDH1A1
SCHEMBL4187138 0.78 ALDH1A1 (0.43) GPR119MAPTALDH1A1LMNAPTPN2
SCHEMBL4187142 0.78 ALDH1A1 (0.43) GPR119MAPTALDH1A1LMNAPTPN2
SCHEMBL5216622 0.77 MAPT (0.68) GPR119KMT2AMAPTALDH1A1LMNA
SCHEMBL5940516 0.77 STS (0.57) GPR119KMT2ASTSPTPN2PTPN1
SCHEMBL14113587 0.76 KMT2A (0.71) GPR119KMT2AMGLLSTSALDH1A1

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 GPR119 1394/4885KMT2A 2934/4885MGLL 4177/4885
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy HTR3C, HTR1A, HTR2C GPR119 330/4885KMT2A 2968/4885MGLL 4089/4885

“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.