SCHEMBL19613626

SCHEMBL19613626

CC(=O)NC1(CCc2ccccc2)CCNC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
CYP2D6 P10635 3/20 0.39
ALDH1A1 P00352 3/20 0.38
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
GAA P10253 1/20 0.36
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
OPRL1 P41146 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 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
Hydrochloric Acid SCHEMBL7559074 0.83 SIGMAR1 (0.38) SLC6A3CYP2D6ALDH1A1POLBSMN1; SMN2
SCHEMBL27142928 0.80 OPRM1 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6ALDH1A1
SCHEMBL8125084 0.80 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6ALDH1A1
SCHEMBL27332322 0.79 CYP2D6 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6ALDH1A1
SCHEMBL7618070 0.78 ALDH1A1 (0.40) ALDH1A1OPRM1OPRD1GAAOPRL1
SCHEMBL7714540 0.76 ALDH1A1 (0.40) ALDH1A1POLBHPGDSMN1; SMN2KMT2A
SCHEMBL31708737 0.74 TLR2 (0.44) ALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL9181591 0.73 KDM4E (0.35) KMT2A
SCHEMBL7615583 0.72 TAAR1 (0.43) CYP2D6ALDH1A1OPRM1OPRD1GAA
SCHEMBL5171729 0.72 NPSR1 (0.44) ALDH1A1OPRM1MAOBPOLBKMT2A

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-10246453-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2019-04-02 US disclosed
US-20170334902-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-11-23 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 (2 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-10246453-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B SLC6A2 156/4885SLC6A4 182/4885SLC6A3 193/4885
US-20170334902-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B SLC6A2 156/4885SLC6A4 182/4885SLC6A3 193/4885

“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.