SCHEMBL4476428

SCHEMBL4476428

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 1/20 0.36
NPY2R P49146 2/20 0.33
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 1/20 0.32
RORC P51449 1/20 0.31

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
SCHEMBL28405167 0.79 LMNA (0.36) CYP2D6KCNH2HRH3LMNANPY2R
SCHEMBL4465716 0.79 CYP2D6 (0.34) CYP2D6KCNH2HRH3LMNANPY2R
Hydrochloric Acid SCHEMBL29034671 0.78 CYP2D6 (0.53) CYP2D6KCNH2HRH3LMNAEPHX2
SCHEMBL28965487 0.77 NR1H2 (0.33) CYP2D6KCNH2HRH3HSD11B1
SCHEMBL28642318 0.76 DPP4 (0.33) CYP2D6KCNH2HRH3LMNAALDH1A1
SCHEMBL1049997 0.76 CYP2D6 (0.40) CYP2D6KCNH2HRH3LMNANPY2R
SCHEMBL3552647 0.76 CYP2D6 (0.40) CYP2D6KCNH2HRH3LMNAEPHX2
SCHEMBL12536121 0.75 NCF1 (0.38)
SCHEMBL4475027 0.75 HSD17B10 (0.39) CYP2D6LMNAALDH1A1

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
CN-110678177-B Pyrazole MAGL inhibitors H.隆德贝克有限公司 2023-06-13 CN disclosed
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.