SCHEMBL8218080

SCHEMBL8218080

O=C(CCN1CCC(c2ccccc2)CC1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.45
CCR2 P41597 11/20 0.44
DRD2 P14416 1/20 0.44
TACR1 P25103 1/20 0.42
CCR5 P51681 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
NR3C1 P04150 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL8210795 0.90 TACR1 (0.44) TACR1
SCHEMBL8218601 0.90 CARM1 (0.43) SIGMAR1NR3C1CARM1PRMT6MEN1
Hydrochloric Acid SCHEMBL4382736 0.89 KCNH2 (0.44) TACR1
Hydrochloric Acid SCHEMBL4382723 0.89 CARM1 (0.43) SIGMAR1NR3C1CARM1PRMT6MEN1
SCHEMBL8218922 0.86 HTR7 (0.52) DRD2SIGMAR1KMT2A
SCHEMBL8221599 0.86 KMT2A (0.45) TACR1CARM1PRMT6MEN1KMT2A
SCHEMBL8212151 0.86 KMT2A (0.45) CARM1PRMT6MEN1KMT2A
Hydrochloric Acid SCHEMBL4384778 0.85 HTR7 (0.51) DRD2SIGMAR1KMT2A
SCHEMBL8218596 0.85 KMT2A (0.48) MEN1KMT2A
Hydrochloric Acid SCHEMBL4376998 0.85 KMT2A (0.45) TACR1CARM1PRMT6MEN1KMT2A

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 CHRM4 142/4885CCR2 1272/4885DRD2 915/4885

“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.