SCHEMBL20190022

SCHEMBL20190022

CC(C)NCC(=O)N(C)CC(=O)NC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.39
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HRH2 P25021 1/20 0.38
GAA P10253 2/20 0.38
MAOB P27338 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL20187735 0.89 PTPRA (0.40) PTPRACA2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20188659 0.88 MAPT (0.41) PTPRACA2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20189532 0.88 GAA (0.40) PTPRACA2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20188572 0.88 PTPRA (0.39) PTPRACA2SMN1; SMN2HRH2GAA
SCHEMBL20188290 0.87 PTPRA (0.42) PTPRACA2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20188853 0.87 PTPRA (0.38) PTPRACA2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20190841 0.87 GAA (0.39) PTPRACA2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL22457613 0.87 PTPRA (0.38) PTPRACA2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20188027 0.86 GRIN2D (0.42) PTPRACA2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20188296 0.86 GAA (0.39) PTPRACA2SMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358935-B2 Prodrugs of lanicemine and their method of use BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2022-06-14 US claimed
US-20200299238-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. 2020-09-24 US claimed
WO-2018098344-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2018-05-31 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 (2 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-20200299238-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE GRIN3A, GRIN1, GRM3 PTPRA 2768/4885CA2 3125/4885SMN1; SMN2 3011/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 PTPRA 2768/4885CA2 3125/4885SMN1; SMN2 3011/4885

“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.