SCHEMBL4385355

SCHEMBL4385355

O=C(CCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.46
TACR1 P25103 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1C Q13936 3/20 0.43
CACNA1F O60840 2/20 0.43
DRD4 P21917 2/20 0.43
DRD5 P21918 2/20 0.43
HRH2 P25021 2/20 0.43
ADRA1D P25100 2/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 2/20 0.43
ADRA1A P35348 2/20 0.43
HRH1 P35367 2/20 0.43
ADRA1B P35368 2/20 0.43
OPRM1 P35372 2/20 0.43
DRD3 P35462 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
HTR6 P50406 2/20 0.43

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
SCHEMBL4395447 0.90 CACNA1B (0.48) CACNA1BTACR1CACNA1CCACNA1FDRD4
SCHEMBL4377033 0.89 CACNA1B (0.53) CACNA1BCACNA1CCACNA1FDRD4DRD5
Oxalic Acid SCHEMBL4395310 0.85 TACR1 (0.46) TACR1MEN1KMT2ACACNA1CCACNA1F
SCHEMBL4388262 0.83 TACR1 (0.47) TACR1MEN1KMT2ACACNA1CCACNA1F
SCHEMBL4387320 0.83 C3AR1 (0.47) CACNA1BCACNA1CCACNA1FDRD4DRD5
SCHEMBL4410979 0.82 MEN1 (0.48) MEN1KMT2APDGFRAS1PR1S1PR5
SCHEMBL8221566 0.82 CACNA1B (0.50) CACNA1BCACNA1CCACNA1FDRD4DRD5
SCHEMBL4408341 0.82 KMT2A (0.40) MEN1KMT2AHTR2AADRA1AHRH1
SCHEMBL4388294 0.81 MEN1 (0.51) MEN1KMT2APDGFRAS1PR1S1PR5
Oxalic Acid SCHEMBL4395271 0.81 C3AR1 (0.46) CACNA1BCACNA1CCACNA1FDRD4DRD5

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 CACNA1B 28/4885TACR1 381/4885MEN1 3694/4885

“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.