SCHEMBL8210795

SCHEMBL8210795

O=C(CCN1CCC(Cc2ccccc2)CC1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44
CCR3 P51677 2/20 0.43
RYR2 Q92736 1/20 0.43
KCNH2 Q12809 1/20 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
Hydrochloric Acid SCHEMBL4382736 0.99 KCNH2 (0.44) TACR1SLC6A2SLC6A4SLC6A3CCR3
SCHEMBL8218080 0.90 CHRM4 (0.45) TACR1
SCHEMBL8218601 0.90 CARM1 (0.43) KCNH2
Hydrochloric Acid SCHEMBL4382723 0.89 CARM1 (0.43) KCNH2
SCHEMBL8218922 0.86 HTR7 (0.52)
SCHEMBL4393097 0.86 KMT2A (0.43)
SCHEMBL8212151 0.86 KMT2A (0.45)
SCHEMBL8221599 0.86 KMT2A (0.45) TACR1
Hydrochloric Acid SCHEMBL4384778 0.85 HTR7 (0.51)
SCHEMBL8218596 0.85 KMT2A (0.48) SLC6A2SLC6A3KCNH2

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
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 TACR1 381/4885SLC6A2 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.