SCHEMBL18154336

SCHEMBL18154336

CC1(NCC(=O)OCc2ccccc2)CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCC3 O15438 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
RARG P13631 1/20 0.41
CNR1 P21554 1/20 0.41
OPRK1 P41145 1/20 0.41
NR1H2 P55055 1/20 0.41
PPARA Q07869 1/20 0.41
NR1H3 Q13133 1/20 0.41
NR1I3 Q14994 1/20 0.41

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
SCHEMBL18154470 0.86 MEN1 (0.55) HTTOPRK1MEN1KMT2ARAB9A
SCHEMBL23869608 0.82 MEN1 (0.52) HTTOPRK1MEN1KMT2AMAPT
SCHEMBL3331774 0.82 CTSL (0.47) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL24666313 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1CYP1A2CYP3A4
SCHEMBL3558511 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL21858202 0.78 CTSB (0.46) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL18154158 0.77 CHRM5 (0.42) ALDH1A1MAPK1L3MBTL1CYP2D6MEN1
SCHEMBL19716352 0.76 MEN1 (0.51) ALDH1A1HTTCYP2D6CYP2C9CYP2C19
SCHEMBL7495274 0.73 MEN1 (0.54) ALDH1A1HTTCYP2D6CYP2C9CYP2C19
SCHEMBL606983 0.73 CTSB (0.46) ALDH1A1HTTMEN1KMT2ANPSR1

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-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 US disclosed
US-20230381150-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-20210236471-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 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-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF 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 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-10905681-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-20200289475-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-12005046-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-11911369-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 ALDH1A1 9/4885MAPK1 2197/4885L3MBTL1 743/4885
US-12005047-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-20210236471-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-20230017637-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-11052070-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE APEH, CYP2C9, ALDH1A2 ALDH1A1 8/4885MAPK1 2140/4885L3MBTL1 831/4885
US-20240091205-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 ALDH1A1 9/4885MAPK1 2197/4885L3MBTL1 743/4885
US-20200085794-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-10639298-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 ALDH1A1 9/4885MAPK1 2197/4885L3MBTL1 743/4885
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885MAPK1 1764/4885L3MBTL1 449/4885
US-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 ALDH1A1 9/4885MAPK1 2197/4885L3MBTL1 743/4885

“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.