SCHEMBL2807019

SCHEMBL2807019

N#Cc1cccc(C(O)C2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
MGLL Q99685 4/20 0.42
TACR1 P25103 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
ENPP2 Q13822 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
EPHX1 P07099 1/20 0.39
GRM4 Q14833 1/20 0.39
GSK3B P49841 1/20 0.39
KMT2A Q03164 2/20 0.38
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL15564047 0.92 SLC6A2 (0.39) SLC6A2SLC6A4MGLLTACR1MRGPRX1
SCHEMBL16225213 0.83 SLC6A2 (0.43) SLC6A2SLC6A4MGLLTACR1MRGPRX1
SCHEMBL4693798 0.77 ENPP2 (0.48) ENPP2GRM4GSK3BKMT2AMEN1
SCHEMBL11601220 0.77 ENPP2 (0.48) ENPP2GRM4GSK3BKMT2AMEN1
SCHEMBL4386224 0.76 IDO1 (0.57) SLC6A2SLC6A4MGLLTACR1MRGPRX1
SCHEMBL4697927 0.75 S1PR1 (0.45) SLC6A2SLC6A4ENPP2GRM4GSK3B
SCHEMBL6540746 0.75 S1PR1 (0.45) SLC6A2SLC6A4ENPP2GRM4GSK3B
SCHEMBL8949484 0.75 GSK3B (0.49) SLC6A2SLC6A4ENPP2GRM4GSK3B
SCHEMBL6481575 0.75 S1PR1 (0.45) SLC6A2SLC6A4ENPP2GRM4GSK3B
SCHEMBL19707722 0.74 NOTUM (0.46) SLC6A2SLC6A4MGLLEPHX1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563732-B2 Oxyimino compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2013-10-22 US disclosed
EP-2164325-B1 OXYIMINO COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-04-24 EP disclosed
US-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2010-09-23 US disclosed
EP-2164325-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF Shionogi&Co., Ltd. (JP) 2010-03-24 EP disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008150470-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-12-11 WO disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 SLC6A2 1326/4885SLC6A4 446/4885MGLL 3394/4885
US-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF CACNA1A, CACNA1S, OPRM1 SLC6A2 663/4885SLC6A4 684/4885MGLL 3203/4885

“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.