SCHEMBL20187704

SCHEMBL20187704

NC1(C(=O)NCC(=O)NC(Cc2ccccn2)c2ccccc2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.42
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
PTPRA P18433 1/20 0.37
KCNK3 O14649 1/20 0.37
SLC6A4 P31645 1/20 0.36
CTSK P43235 1/20 0.36
GAA P10253 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
KCNH2 Q12809 1/20 0.35
LTB4R Q15722 1/20 0.35

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
SCHEMBL20188087 0.93 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20189027 0.78 ITGB3 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20190722 0.76 PTPRA (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20188173 0.75 SMN1; SMN2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20190939 0.75 PTPRA (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22457372 0.75 PTPRA (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20196562 0.75 GPR88 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20196561 0.75 GPR88 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9321384 0.75 GRIN2D (0.51) CTSCGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20188030 0.74 OPRD1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 6 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 claimed
US-11358935-B2 Prodrugs of lanicemine and their method of use BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2022-06-14 US disclosed
US-20200299238-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. 2020-09-24 US disclosed
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 CTSC 526/4885GRIN2D 58/4885GRIN3B 22/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 CTSC 526/4885GRIN2D 58/4885GRIN3B 22/4885

“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.