SCHEMBL21180381

SCHEMBL21180381

CC(C)(C)[C@H]1NCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
PNMT P11086 2/20 0.39
CYP2D6 P10635 2/20 0.38
PRCP P42785 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA7 P36544 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
DRD1 P21728 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL22023616 1.00 ALDH1A1 (0.40) ALDH1A1MAPTPNMTCYP2D6PRCP
SCHEMBL14279490 1.00 ALDH1A1 (0.40) ALDH1A1MAPTPNMTCYP2D6PRCP
SCHEMBL31097452 0.85 DRD1 (0.38) ALDH1A1MAPTPNMTCYP2D6CYP3A4
SCHEMBL13783357 0.81 PRCP (0.56) MAPTPRCPMEN1KMT2A
SCHEMBL19223482 0.81 PRCP (0.56) MAPTPRCPMEN1KMT2A
SCHEMBL21856320 0.80 PNMT (0.52) ALDH1A1MAPTPNMTCYP2D6CYP3A4
Hydrochloric Acid SCHEMBL28291673 0.78 PNMT (0.50) ALDH1A1MAPTPNMTCYP2D6CYP3A4
SCHEMBL29168653 0.76 CHRNB2 (0.36) CYP2D6DRD1
SCHEMBL15912353 0.74 PNMT (0.34) ALDH1A1MAPTPNMTCYP2D6MEN1
SCHEMBL873420 0.72 ALDH1A1 (0.47) ALDH1A1MAPTCYP2D6PRCPMEN1

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 7 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-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-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

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-10357497-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis CYP1A2, CYP3A5, UGT1A1 ALDH1A1 45/4885MAPT 401/4885PNMT 2919/4885
US-11197864-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis CYP1A2, UGT1A1, SMN1; SMN2 ALDH1A1 50/4885MAPT 564/4885PNMT 3089/4885
US-20230202993-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 ALDH1A1 9/4885MAPT 423/4885PNMT 1759/4885
US-20210078962-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 ALDH1A1 9/4885MAPT 423/4885PNMT 1759/4885
US-10844026-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 ALDH1A1 9/4885MAPT 423/4885PNMT 1759/4885
US-20200157069-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 ALDH1A1 9/4885MAPT 423/4885PNMT 1759/4885

“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.