SCHEMBL8218596

SCHEMBL8218596

O=C(CCN1CCOCC1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.44
EPHX2 P34913 1/20 0.42
TRPV4 Q9HBA0 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39

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 SCHEMBL4387884 0.99 KMT2A (0.48) KMT2AMEN1EPHX2TRPV4KDM4E
SCHEMBL13588947 0.91 KMT2A (0.45) KMT2AMEN1EPHX2TRPV4KDM4E
Hydrochloric Acid SCHEMBL4390162 0.91 KMT2A (0.44) KMT2AMEN1EPHX2TRPV4KDM4E
SCHEMBL8212151 0.90 KMT2A (0.45) KMT2AMEN1KDM4EGAALMNA
SCHEMBL8221599 0.90 KMT2A (0.45) KMT2AMEN1KDM4EGAALMNA
Hydrochloric Acid SCHEMBL4383617 0.89 KMT2A (0.44) KMT2AMEN1KDM4EGAALMNA
Hydrochloric Acid SCHEMBL4376998 0.89 KMT2A (0.45) KMT2AMEN1KDM4EGAALMNA
SCHEMBL8218922 0.88 HTR7 (0.52) KMT2ASMN1; SMN2LMNA
SCHEMBL4393097 0.88 KMT2A (0.43) KMT2AMEN1TRPV4KDM4EGAA
SCHEMBL8218601 0.88 CARM1 (0.43) KMT2AMEN1SMN1; SMN2KCNH2

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 KMT2A 2079/4885MEN1 3694/4885EPHX2 925/4885

“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.