SCHEMBL18154158

SCHEMBL18154158

CC1(N(CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRM2 P08172 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL18154422 0.88 SIGMAR1 (0.37) CHRM5CHRM1CHRM3CHRM2ALDH1A1
SCHEMBL18163700 0.87 MEN1 (0.47) MEN1KMT2ANPSR1
SCHEMBL18154421 0.82 POLB (0.40) CHRM1SIGMAR1MEN1KMT2ACYP2D6
SCHEMBL19844601 0.80 ALDH1A1 (0.46) CHRM5CHRM1CHRM3CHRM2ALDH1A1
SCHEMBL18154126 0.79 TACR1 (0.44) MEN1KMT2ANPSR1
SCHEMBL19844600 0.79 ALDH1A1 (0.40) CHRM5CHRM1CHRM3CHRM2ALDH1A1
SCHEMBL21858172 0.79 SIGMAR1 (0.44) CHRM5CHRM1CHRM3CHRM2ALDH1A1
SCHEMBL18154336 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL18163705 0.77 MEN1 (0.40) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL3558511 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPSR1NPC1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12005046-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
US-12005047-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
US-20240091205-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2024-03-21 US disclosed
US-11911369-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (VG) 2024-02-27 US disclosed
US-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 US disclosed
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 US disclosed
US-20230017637-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-01-19 US disclosed
US-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. (US) 2022-12-15 US disclosed
EP-4011870-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING RILUZOLE PRODRUGS Biohaven Pharmaceutical Holding Company Ltd. (US) 2022-06-15 EP disclosed
US-20210236470-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. 2021-08-05 US disclosed
US-11052070-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2021-07-06 US disclosed
US-10905681-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-02 US disclosed
US-20200289475-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2020-09-17 US disclosed
US-10639298-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (US) 2020-05-05 US disclosed
US-20200085794-A1 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN THERAPEUTICS LTD. (JP) 2020-03-19 US disclosed
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
EP-3265448-A1 RILUZOLE PRODRUGS AND THEIR USE Biohaven Pharmaceutical Holding Company Ltd. (US) 2018-01-10 EP disclosed
WO-2016140879-A9 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-11-03 WO disclosed
WO-2016140878-A9 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-10-20 WO 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 (16 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-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 CHRM5 2199/4885CHRM1 2059/4885CHRM3 2203/4885
US-10905681-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 CHRM5 2199/4885CHRM1 2059/4885CHRM3 2203/4885
US-20200289475-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 CHRM5 2199/4885CHRM1 2059/4885CHRM3 2203/4885
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 CHRM5 2199/4885CHRM1 2059/4885CHRM3 2203/4885
US-12005046-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 CHRM5 2199/4885CHRM1 2059/4885CHRM3 2203/4885
US-11911369-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 CHRM5 1708/4885CHRM1 1669/4885CHRM3 1816/4885
US-12005047-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 CHRM5 2199/4885CHRM1 2059/4885CHRM3 2203/4885
US-20230017637-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 CHRM5 2199/4885CHRM1 2059/4885CHRM3 2203/4885
US-11052070-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 CHRM5 2199/4885CHRM1 2059/4885CHRM3 2203/4885
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE APEH, CYP2C9, ALDH1A2 CHRM5 2020/4885CHRM1 2068/4885CHRM3 2182/4885
US-20240091205-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 CHRM5 1708/4885CHRM1 1669/4885CHRM3 1816/4885
US-20200085794-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 CHRM5 2199/4885CHRM1 2059/4885CHRM3 2203/4885
US-10639298-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 CHRM5 1708/4885CHRM1 1669/4885CHRM3 1816/4885
US-20210236470-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 CHRM5 1708/4885CHRM1 1669/4885CHRM3 1816/4885
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 CHRM5 2199/4885CHRM1 2059/4885CHRM3 2203/4885
US-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 CHRM5 1708/4885CHRM1 1669/4885CHRM3 1816/4885

“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.