SCHEMBL4474136

SCHEMBL4474136

CC(C)(C)N1CCN(C2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL3 Q96JM7 10/20 0.38
L3MBTL1 Q9Y468 9/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MBTD1 Q05BQ5 4/20 0.38
TP53BP1 Q12888 1/20 0.38
L3MBTL4 Q8NA19 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL4472237 0.93 SIGMAR1 (0.40) SIGMAR1TP53TDP1L3MBTL3L3MBTL1
SCHEMBL12606996 0.86 SIGMAR1 (0.43) SIGMAR1L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL484901 0.84 SIGMAR1 (0.38) SIGMAR1HRH3
SCHEMBL26138783 0.84 SIGMAR1 (0.42) SIGMAR1TP53TDP1L3MBTL3L3MBTL1
SCHEMBL19196470 0.84 SIGMAR1 (0.42) SIGMAR1TP53TDP1L3MBTL3L3MBTL1
SCHEMBL19196412 0.83 LMNA (0.46) SIGMAR1HRH3ALDH1A1
SCHEMBL2550326 0.82 L3MBTL3 (0.46) TP53TDP1L3MBTL3L3MBTL1MBTD1
SCHEMBL19196826 0.81 POLB (0.47) SIGMAR1L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL15346261 0.81 ACACB (0.41) TP53TDP1L3MBTL3L3MBTL1MEN1
SCHEMBL1943559 0.80 HRH3 (0.45) TDP1MEN1KMT2AHRH3ALDH1A1

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 SIGMAR1 410/4885TP53 2881/4885TDP1 3724/4885

“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.