SCHEMBL20189005

SCHEMBL20189005

CN(C)CC(=O)NC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.47
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HDAC6 Q9UBN7 4/20 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
SCHEMBL20188290 0.92 PTPRA (0.42) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20188027 0.86 GRIN2D (0.42) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20188760 0.85 GRIN2D (0.44) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20188762 0.85 GRIN2D (0.44) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20188813 0.85 GRIN2D (0.44) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20187735 0.85 PTPRA (0.40) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20190022 0.83 PTPRA (0.39) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20188572 0.83 PTPRA (0.39) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20188336 0.83 PTPRA (0.39) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20189532 0.83 GAA (0.40) PTPRAGRIN2DGRIN3BGRIN1GRIN2A

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 5 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

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 2768/4885GRIN2D 58/4885GRIN3B 22/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 PTPRA 2768/4885GRIN2D 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.