SCHEMBL4382696

SCHEMBL4382696

O=C(CN1CCCCC1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TACR1 P25103 2/20 0.48
MAPT P10636 2/20 0.45
HTT P42858 3/20 0.44
POLB P06746 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
TACR2 P21452 1/20 0.40
OPRK1 P41145 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
SCHEMBL4388294 0.85 MEN1 (0.51) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL4410979 0.84 MEN1 (0.48) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL4379562 0.83 MEN1 (0.48) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL4387904 0.82 MEN1 (0.47) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL8221599 0.82 KMT2A (0.45) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL8212151 0.82 KMT2A (0.45) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL8218596 0.81 KMT2A (0.48) KMT2AMEN1GAAKDM4ELMNA
Hydrochloric Acid SCHEMBL4376998 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL4383617 0.81 KMT2A (0.44) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL13589563 0.81 MC4R (0.47) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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 KMT2A 2079/4885MEN1 3694/4885ALDH1A1 2105/4885

“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.