SCHEMBL4386224

SCHEMBL4386224

N#Cc1cccc(C(ON)C2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.57
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
TACR1 P25103 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
MGLL Q99685 3/20 0.40
SLC6A3 Q01959 1/20 0.38
EPHX1 P07099 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL16225213 0.79 SLC6A2 (0.43) SLC6A2SLC6A4TACR1MRGPRX1MGLL
SCHEMBL2807019 0.76 SLC6A2 (0.43) SLC6A2SLC6A4TACR1MRGPRX1MGLL
SCHEMBL27331494 0.74 IDO1 (1.00) IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL4387326 0.72 IDO1 (0.57) IDO1EPHX1
SCHEMBL5272005 0.71 TACR1 (0.41) SLC6A2SLC6A4TACR1MRGPRX1MGLL
SCHEMBL2939744 0.70 GRM4 (0.44) IDO1SLC6A2SLC6A4DRD2DRD3
SCHEMBL13589661 0.70 S1PR1 (0.41)
SCHEMBL15564047 0.70 SLC6A2 (0.39) SLC6A2SLC6A4TACR1MRGPRX1MGLL
SCHEMBL4083138 0.69 ENPP2 (0.47) IDO1SLC6A2SLC6A4DRD2DRD3
SCHEMBL4380343 0.69 S1PR1 (0.38) TACR1MRGPRX1

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
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US 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-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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 (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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 IDO1 305/4885SLC6A2 1326/4885SLC6A4 446/4885

“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.