SCHEMBL4380343

SCHEMBL4380343

CC(C)OCC(ON)c1cccc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
GLA P06280 1/20 0.38
FFAR1 O14842 1/20 0.37
TNF P01375 1/20 0.36
ADRA1D P25100 4/20 0.36
CNR1 P21554 4/20 0.36
ADRA1A P35348 2/20 0.36
ADRA2B P18089 1/20 0.36
GRM4 Q14833 1/20 0.35
CNR2 P34972 2/20 0.35
TACR1 P25103 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
ADRA1B P35368 1/20 0.35
APLNR P35414 1/20 0.35
GPR139 Q6DWJ6 1/20 0.34

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
SCHEMBL4378884 0.79 GLA (0.39) S1PR1GLAFFAR1TNFADRA1D
SCHEMBL13589661 0.79 S1PR1 (0.41) S1PR1FFAR1TNFADRA1DCNR1
SCHEMBL4382611 0.78 ALDH1A1 (0.34) S1PR1GLAFFAR1TNFCNR1
SCHEMBL4387350 0.77 FFAR1 (0.38) FFAR1TNF
SCHEMBL800275 0.72 GLA (0.54) GLAFFAR1TACR1MRGPRX1
SCHEMBL5861621 0.71 GLA (0.44) S1PR1GLATNFADRA1DCNR1
SCHEMBL1002822 0.71 GLA (0.44) S1PR1GLATNFADRA1DCNR1
SCHEMBL1719895 0.71 GLA (0.44) S1PR1GLATNFADRA1DCNR1
SCHEMBL30554313 0.71 GLA (0.44) S1PR1GLATNFADRA1DCNR1
SCHEMBL22824024 0.71 FFAR1 (0.46) S1PR1GLAFFAR1TNFCNR1

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 S1PR1 477/4885GLA 2456/4885FFAR1 361/4885

“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.