SCHEMBL4388262

SCHEMBL4388262

Fc1ccc(C(CCCN2CCC(=NOCc3cccc(C(F)(F)F)c3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.47
KCNH2 Q12809 5/20 0.45
HTR2A P28223 6/20 0.42
DRD3 P35462 6/20 0.42
OPRK1 P41145 6/20 0.42
SLC6A3 Q01959 6/20 0.42
OPRD1 P41143 6/20 0.42
OPRM1 P35372 6/20 0.42
HRH1 P35367 5/20 0.42
DRD4 P21917 5/20 0.42
DRD5 P21918 5/20 0.42
HRH2 P25021 5/20 0.42
HTR7 P34969 5/20 0.42
HTR6 P50406 5/20 0.42
ADRA1D P25100 4/20 0.42
ADRA1A P35348 4/20 0.42
HTR2C P28335 4/20 0.42
DRD1 P21728 3/20 0.42
HTR5A P47898 3/20 0.42
CACNA1F O60840 3/20 0.42

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
Oxalic Acid SCHEMBL4395310 0.96 TACR1 (0.46) TACR1KCNH2HTR2ADRD3OPRK1
SCHEMBL8217473 0.88 DRD4 (0.45) TACR1KCNH2HTR2ADRD3OPRK1
SCHEMBL8225045 0.87 SLC6A3 (0.51) KCNH2HTR2ADRD3OPRK1SLC6A3
Oxalic Acid SCHEMBL4380272 0.84 HTR2A (0.48) TACR1KCNH2HTR2ADRD3OPRK1
SCHEMBL4385355 0.83 CACNA1B (0.46) TACR1KCNH2HTR2ADRD3OPRK1
Oxalic Acid SCHEMBL4380546 0.82 SLC6A3 (0.54) TACR1KCNH2HTR2ADRD3OPRK1
SCHEMBL4390287 0.81 SIGMAR1 (0.51) KCNH2HTR2ADRD3OPRK1SLC6A3
SCHEMBL13588930 0.80 DRD3 (0.46) KCNH2HTR2ADRD3OPRK1SLC6A3
SCHEMBL8219712 0.80 HTR2A (0.44) KCNH2HTR2ADRD3OPRK1SLC6A3
SCHEMBL13588937 0.79 SLC6A3 (0.54) KCNH2HTR2ADRD3OPRK1SLC6A3

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 3 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
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US 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 TACR1 381/4885KCNH2 50/4885HTR2A 956/4885

“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.