SCHEMBL19613987

SCHEMBL19613987

CC[C@H](c1ccccc1)N1CCC(NC(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
ALDH1A1 P00352 1/20 0.43
BACE1 P56817 1/20 0.43
DRD4 P21917 1/20 0.42
MCHR1 Q99705 2/20 0.42
CHRM1 P11229 2/20 0.42
BRD4 O60885 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A9 P48067 1/20 0.40
TSHR P16473 1/20 0.40
XIAP P98170 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL19613179 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL19613986 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL19613180 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL19613178 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL22590200 0.86 BACE1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL19627682 0.85 KCNA3 (0.51) KMT2A
SCHEMBL19627679 0.85 KCNA3 (0.51) KMT2A
SCHEMBL19613862 0.84 EPHX2 (0.42) OPRM1OPRL1ALDH1A1MEN1KMT2A
SCHEMBL19613860 0.84 EPHX2 (0.42) OPRM1OPRL1ALDH1A1MEN1KMT2A
SCHEMBL19613859 0.84 EPHX2 (0.42) OPRM1OPRL1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354354-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2020-11-12 US disclosed
US-10815229-B1 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2020-10-27 US disclosed
US-10662184-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2020-05-26 US disclosed
US-20190194184-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2019-06-27 US disclosed
US-10246453-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2019-04-02 US disclosed
EP-3458449-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2019-03-27 EP disclosed
WO-2017201468-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-11-23 WO 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 (6 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-10815229-B1 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B OPRM1 1712/4885OPRD1 1936/4885OPRK1 1479/4885
US-10246453-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B OPRM1 1712/4885OPRD1 1936/4885OPRK1 1479/4885
US-20170334902-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B OPRM1 1712/4885OPRD1 1936/4885OPRK1 1479/4885
US-10662184-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B OPRM1 1665/4885OPRD1 1887/4885OPRK1 1412/4885
US-20200354354-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B OPRM1 1712/4885OPRD1 1936/4885OPRK1 1479/4885
US-20190194184-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B OPRM1 1665/4885OPRD1 1887/4885OPRK1 1412/4885

“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.