SCHEMBL16451668

SCHEMBL16451668

CC(C)(C)CC1(CN)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
CACNA2D1 P54289 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL23745383 0.87
SCHEMBL20280308 0.77
SCHEMBL34979 0.76 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4048080 0.76 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL670620 0.76 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL17583500 0.76 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL980620 0.76 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL671851 0.76 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5803239 0.73 USP2 (0.54) USP2ALDH1A1LMNACYP1A2TSHR
Ammonia Solution, Strong SCHEMBL5039681 0.73 USP2 (0.54) USP2ALDH1A1LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202993-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-06-29 US disclosed
US-20230202993-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-06-29 US disclosed
US-20220072006-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS BEETLEJUICE SA LLC, AS PURCHASER AGENT 2022-03-10 US disclosed
US-11197864-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis Biohaven Pharmaceutical Holding Company Limited (US) 2021-12-14 US disclosed
US-20210078962-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2021-03-18 US disclosed
US-10844026-B2 Prodrugs of riluzole and their method of use BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2020-11-24 US disclosed
US-20200157069-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2020-05-21 US disclosed
US-10562870-B2 Prodrugs of riluzole and their method of use BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2020-02-18 US disclosed
US-10357497-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis Biohaven Pharmaceutical Holding Company Limited (US) 2019-07-23 US disclosed
US-20170334870-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2017-11-23 US disclosed
US-20170334870-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2017-11-23 US disclosed
US-9725427-B2 Prodrugs of riluzole and their method of use Biohaven Pharmaceutical Holding Company Limited (US) 2017-08-08 US disclosed
US-9725427-B2 Prodrugs of riluzole and their method of use Biohaven Pharmaceutical Holding Company Limited (US) 2017-08-08 US disclosed
US-20150045401-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2015-02-12 US disclosed
US-20150045401-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2015-02-12 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 (10 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-10357497-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis CYP1A2, CYP3A5, UGT1A1 USP2 96/4885ALDH1A1 45/4885LMNA 202/4885
US-11197864-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis CYP1A2, UGT1A1, SMN1; SMN2 USP2 85/4885ALDH1A1 50/4885LMNA 319/4885
US-20170334870-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 USP2 151/4885ALDH1A1 9/4885LMNA 3160/4885
US-20230202993-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 USP2 151/4885ALDH1A1 9/4885LMNA 3160/4885
US-20210078962-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 USP2 151/4885ALDH1A1 9/4885LMNA 3160/4885
US-10844026-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 USP2 151/4885ALDH1A1 9/4885LMNA 3160/4885
US-10562870-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 USP2 151/4885ALDH1A1 9/4885LMNA 3160/4885
US-20150045401-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 USP2 151/4885ALDH1A1 9/4885LMNA 3160/4885
US-20220072006-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CYP1A2, CYP3A5, UGT1A1 USP2 96/4885ALDH1A1 45/4885LMNA 202/4885
US-20200157069-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 USP2 151/4885ALDH1A1 9/4885LMNA 3160/4885

“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.