SCHEMBL19631646

SCHEMBL19631646

N[C@@H](c1ccccc1)N1CCC(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.40
CYP2D6 P10635 6/20 0.39
KCNH2 Q12809 5/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 4/20 0.39
KCNA5 P22460 4/20 0.39
CYP2C19 P33261 4/20 0.39
KCNE1 P15382 1/20 0.38
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
HSD11B1 P28845 2/20 0.38
LMNA P02545 1/20 0.37
OPRD1 P41143 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 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
SCHEMBL5391913 0.80 KMT2A (0.57) CYP2D6KCNH2CYP2C19OPRD1CHRM2
SCHEMBL506316 0.79 CYP2D6 (0.61) CYP2D6KCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL27330921 0.77 LMNA (0.41) TACR1CYP2D6KCNH2CYP1A2CYP3A4
SCHEMBL28041843 0.77 CYP2D6 (0.39) TACR1CYP2D6KCNH2CYP1A2CYP3A4
SCHEMBL28041982 0.77 CYP2D6 (0.39) TACR1CYP2D6KCNH2CYP1A2CYP3A4
SCHEMBL19613500 0.77 CYP2D6 (0.70) CYP2D6HSD11B1OPRD1CHRM2CHRM1
SCHEMBL4696100 0.77 CYP2D6 (0.39) TACR1CYP2D6KCNH2CYP1A2CYP3A4
SCHEMBL4601165 0.77 CYP2D6 (0.70) CYP2D6HSD11B1OPRD1CHRM2CHRM1
SCHEMBL1586528 0.77 CYP2D6 (0.70) CYP2D6HSD11B1OPRD1CHRM2CHRM1
SCHEMBL8099850 0.77 CYP2D6 (0.70) CYP2D6HSD11B1OPRD1CHRM2CHRM1

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 6 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
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 TACR1 1679/4885CYP2D6 321/4885KCNH2 65/4885
US-10246453-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B TACR1 1679/4885CYP2D6 321/4885KCNH2 65/4885
US-20170334902-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B TACR1 1679/4885CYP2D6 321/4885KCNH2 65/4885
US-10662184-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B TACR1 1652/4885CYP2D6 301/4885KCNH2 57/4885
US-20200354354-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B TACR1 1679/4885CYP2D6 321/4885KCNH2 65/4885
US-20190194184-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B TACR1 1652/4885CYP2D6 301/4885KCNH2 57/4885

“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.