SCHEMBL4471405

SCHEMBL4471405

CC(C)(C=O)C1CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 2/20 0.36
EPHX2 P34913 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPY2R P49146 1/20 0.31
LYPLA1 O75608 1/20 0.30
LYPLA2 O95372 1/20 0.30

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
SCHEMBL5765556 0.79 CYP2D6 (0.55) CYP2D6KCNH2HRH3LMNAEPHX2
Hydrochloric Acid SCHEMBL29034671 0.78 CYP2D6 (0.53) CYP2D6KCNH2HRH3LMNAEPHX2
SCHEMBL1049997 0.76 CYP2D6 (0.40) CYP2D6KCNH2HRH3LMNAEPHX2
SCHEMBL3552647 0.76 CYP2D6 (0.40) CYP2D6KCNH2HRH3LMNAEPHX2
SCHEMBL18285482 0.75 NCF1 (0.33)
SCHEMBL30980356 0.73
SCHEMBL4476428 0.73 CYP2D6 (0.38) CYP2D6KCNH2HRH3LMNAEPHX2
SCHEMBL22441554 0.72 CYP2D6 (0.40) CYP2D6KCNH2HRH3LMNAEPHX2
SCHEMBL16829651 0.72 CYP2D6 (0.37) CYP2D6KCNH2HRH3LMNAEPHX2
SCHEMBL2825842 0.71 SPR (0.39) CYP2D6KCNH2HRH3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 US disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R CYP2D6 59/4885KCNH2 464/4885HRH3 863/4885

“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.