SCHEMBL19631653

SCHEMBL19631653

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
KCNA5 P22460 2/20 0.38
CYP2C19 P33261 2/20 0.38
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL5745201 0.81 L3MBTL3 (0.61) KCNA3L3MBTL3L3MBTL1KDM4EOPRM1
Hydrochloric Acid SCHEMBL10797918 0.79 L3MBTL3 (0.59) KCNA3L3MBTL3L3MBTL1KDM4EOPRM1
SCHEMBL506316 0.78 CYP2D6 (0.61) L3MBTL3L3MBTL1CYP2D6CYP1A2CYP3A4
SCHEMBL19614197 0.78 CYP2D6 (0.68) KCNA3L3MBTL3OPRM1OPRK1OPRL1
SCHEMBL7286703 0.78 CYP2D6 (0.68) KCNA3L3MBTL3OPRM1OPRK1OPRL1
SCHEMBL19613224 0.78 CYP2D6 (0.68) KCNA3L3MBTL3OPRM1OPRK1OPRL1
SCHEMBL18901692 0.76 LMNA (0.50) KCNA3KDM4ECYP3A4CYP2C19ALDH1A1
SCHEMBL12137585 0.75 LMNA (0.67) KCNA3KDM4ECYP3A4CYP2C19KCNH2
SCHEMBL755184 0.75 LMNA (0.67) KCNA3KDM4ECYP3A4CYP2C19KCNH2
SCHEMBL2267306 0.74 L3MBTL3 (0.53) KCNA3L3MBTL3L3MBTL1KDM4EOPRM1

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 KCNA3 41/4885L3MBTL3 2761/4885L3MBTL1 2510/4885
US-10246453-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B KCNA3 41/4885L3MBTL3 2761/4885L3MBTL1 2510/4885
US-20170334902-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B KCNA3 41/4885L3MBTL3 2761/4885L3MBTL1 2510/4885
US-10662184-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B KCNA3 36/4885L3MBTL3 3103/4885L3MBTL1 2917/4885
US-20200354354-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B KCNA3 41/4885L3MBTL3 2761/4885L3MBTL1 2510/4885
US-20190194184-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B KCNA3 36/4885L3MBTL3 3103/4885L3MBTL1 2917/4885

“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.