SCHEMBL4382633

SCHEMBL4382633

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.38
GPR52 Q9Y2T5 2/20 0.38
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MMP1 P03956 1/20 0.36
MMP12 P39900 1/20 0.36
FFAR1 O14842 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL4395353 0.94 MEN1 (0.45) MEN1KMT2AGPR52PRKCAPRKCD
SCHEMBL8210228 0.86 MEN1 (0.43) MEN1KMT2APOLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4386259 0.86 MEN1 (0.42) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL13588947 0.85 KMT2A (0.45) MEN1KMT2AGPR52KDM4ELMNA
Hydrochloric Acid SCHEMBL4390162 0.85 KMT2A (0.44) MEN1KMT2AGPR52KDM4ELMNA
SCHEMBL4388294 0.83 MEN1 (0.51) MEN1KMT2APRKCAPRKCDPOLB
SCHEMBL8221599 0.83 KMT2A (0.45) MEN1KMT2APRKCAPRKCDFFAR4
Hydrochloric Acid SCHEMBL4376998 0.83 KMT2A (0.45) MEN1KMT2APRKCAPRKCDFFAR4
SCHEMBL13589563 0.82 MC4R (0.47) MEN1KMT2AMRGPRX4ALDH1A1LMNA
SCHEMBL4387904 0.82 MEN1 (0.47) MEN1KMT2APRKCAPRKCDPOLB

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 2079/4885MRGPRX4 1288/4885

“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.