SCHEMBL4387904

SCHEMBL4387904

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CACNA1B Q00975 3/20 0.44
CYP2D6 P10635 3/20 0.41
FAAH O00519 1/20 0.39
NR4A2 P43354 2/20 0.39
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
CNR1 P21554 1/20 0.39
IDO1 P14902 1/20 0.38
MAOB P27338 2/20 0.38
POLB P06746 2/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4388294 0.85 MEN1 (0.51) MEN1KMT2ANR4A2PRKCAPRKCD
SCHEMBL4410979 0.84 MEN1 (0.48) MEN1KMT2AFAAHNR4A2PRKCA
SCHEMBL4395353 0.83 MEN1 (0.45) MEN1KMT2AFAAHNR4A2PRKCA
SCHEMBL4379562 0.83 MEN1 (0.48) MEN1KMT2ANR4A2PRKCAPRKCD
SCHEMBL4382696 0.82 KMT2A (0.53) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL4382633 0.82 MEN1 (0.43) MEN1KMT2AFAAHNR4A2PRKCA
SCHEMBL8210228 0.81 MEN1 (0.43) MEN1KMT2ACYP2D6POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4386259 0.81 MEN1 (0.42) MEN1KMT2ACYP2D6POLBSMN1; SMN2
SCHEMBL4380358 0.81 LMNA (0.51) MEN1KMT2ANR4A2POLBCYP2C19
SCHEMBL4395452 0.80 FAAH (0.63) MEN1KMT2AFAAHSMN1; SMN2LMNA

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 MEN1 3694/4885KMT2A 2079/4885CACNA1B 28/4885

“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.