SCHEMBL8056124

SCHEMBL8056124

CC(=O)OCC(COC(N)=O)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
CYP2D6 P10635 1/20 0.83
PKM P14618 1/20 0.83
NPSR1 Q6W5P4 1/20 0.83
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
KMT2A Q03164 1/20 0.41
SLC6A3 Q01959 3/20 0.40
DRD3 P35462 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
EDNRB P24530 1/20 0.40
MAPK1 P28482 1/20 0.40
MC4R P32245 1/20 0.40
CYP2C19 P33261 1/20 0.40
MC3R P41968 1/20 0.40
DRD2 P14416 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
SCHEMBL8392180 1.00 CYP1A2 (0.83) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL8392182 1.00 CYP1A2 (0.83) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL9771995 0.91 CYP1A2 (0.67) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL34947 0.91 CYP1A2 (1.00) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL2946508 0.91 CYP1A2 (1.00) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL17597519 0.90 CYP1A2 (0.96) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Felbamate SCHEMBL7153063 0.90 CYP1A2 (0.96) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL8188051 0.89 CYP1A2 (0.65) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL8178310 0.89 CYP1A2 (0.65) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL8177836 0.89 CYP1A2 (0.65) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2012-04-05 US disclosed
US-20100029618-A1 ALPHA-2 RECEPTOR PAN AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN GIL DANIEL W 2010-02-04 US disclosed
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN INC. 2008-06-26 US disclosed
EP-0730576-A1 NOVEL CARBAMATE COMPOUNDS AND PROCESSES FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-09-11 EP disclosed
EP-0730575-A1 NOVEL CARBAMATE COMPOUNDS AND PROCESSES FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-09-11 EP disclosed
WO-1996009283-A1 NOVEL CARBAMATE COMPOUNDS AND PROCESSES FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-03-28 WO disclosed
WO-1996009284-A1 NOVEL CARBAMATE COMPOUNDS AND PROCESSES FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-03-28 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 (3 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-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 CYP1A2 570/4885SMN1; SMN2 1238/4885CYP2D6 1253/4885
US-20100029618-A1 ALPHA-2 RECEPTOR PAN AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, ADRA2A, ADRB2 CYP1A2 446/4885SMN1; SMN2 1571/4885CYP2D6 1074/4885
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 CYP1A2 570/4885SMN1; SMN2 1238/4885CYP2D6 1253/4885

“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.