SCHEMBL4472237

SCHEMBL4472237

CC(C)(C)N1CCC(N2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
L3MBTL3 Q96JM7 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HRH3 Q9Y5N1 3/20 0.37
PKM P14618 1/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4474136 0.93 SIGMAR1 (0.43) SIGMAR1L3MBTL3L3MBTL1HRH3TP53
SCHEMBL11916118 0.86 CYP1A2 (0.41) SIGMAR1L3MBTL3L3MBTL1HRH3POLB
SCHEMBL11916103 0.84 SIGMAR1 (0.39) SIGMAR1L3MBTL3L3MBTL1HRH3PKM
SCHEMBL26138892 0.84 ACACB (0.39) SIGMAR1L3MBTL3L3MBTL1HRH3PKM
SCHEMBL11916106 0.83 HSD11B1 (0.45) HRH3TP53ACACBACACAALDH1A1
SCHEMBL11916109 0.81 POLB (0.52) SIGMAR1L3MBTL3L3MBTL1HRH3POLB
SCHEMBL484901 0.81 SIGMAR1 (0.38) SIGMAR1HRH3
SCHEMBL15346261 0.81 ACACB (0.41) L3MBTL3L3MBTL1POLBHSD17B10TP53
SCHEMBL2553841 0.81 HRH3 (0.44) L3MBTL3L3MBTL1HRH3POLBHSD17B10
SCHEMBL11916119 0.80 SIGMAR1 (0.37) SIGMAR1L3MBTL3L3MBTL1HRH3KDM4E

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 410/4885L3MBTL3 4412/4885L3MBTL1 4617/4885

“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.