SCHEMBL4382602

SCHEMBL4382602

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(=NOCc2ccc(F)cc2C2CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.44
HTR2C P28335 5/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
LIPE Q05469 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
EPHX2 P34913 2/20 0.40
HSD11B1 P28845 1/20 0.40
KCNH2 Q12809 1/20 0.38
EPHX1 P07099 2/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL4393199 0.82 LIPE (0.46) HTR2AHTR2CLIPEMEN1KMT2A
SCHEMBL4384497 0.80 MEN1 (0.43) LIPEMEN1KMT2AEPHX2HSD11B1
SCHEMBL4381887 0.78 HDAC3 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4380733 0.78 EPHX2 (0.47) HTR2ALIPEMEN1KMT2AEPHX2
SCHEMBL4390793 0.78 MEN1 (0.45) LIPEMEN1KMT2AEPHX2
SCHEMBL4382851 0.77 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4388046 0.76 SCN9A (0.44) HTR2AHTR2CLIPESCN9A
SCHEMBL4382729 0.76 EPHX2 (0.50) LIPEMEN1KMT2AEPHX2EPHX1
SCHEMBL4383823 0.76 GBA1 (0.46) LIPEMEN1KMT2AEPHX2HSD11B1
SCHEMBL4381986 0.75 MEN1 (0.49) LIPEMEN1KMT2AEPHX2

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 1 patent. 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

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 HTR2A 956/4885HTR2C 360/4885PSEN1 2328/4885

“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.