SCHEMBL20188367

SCHEMBL20188367

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
GAA P10253 1/20 0.38
KCNK3 O14649 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
PYGL P06737 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGB6 P18564 1/20 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
SCHEMBL20190841 0.92 GAA (0.39) CA2SMN1; SMN2CYP1A2CYP2D6GAA
SCHEMBL20188296 0.89 GAA (0.39) CA2SMN1; SMN2CYP1A2CYP2D6GAA
SCHEMBL20189532 0.89 GAA (0.40) CA2SMN1; SMN2CYP1A2CYP2D6GAA
SCHEMBL22457666 0.88 GAA (0.38) CA2SMN1; SMN2CYP1A2CYP2D6GAA
SCHEMBL20188659 0.87 MAPT (0.41) CA2SMN1; SMN2CYP1A2CYP2D6GAA
SCHEMBL20189047 0.87 GPR139 (0.44) GAAPYGLNPC1RAB9AKMT2A
SCHEMBL20188572 0.87 PTPRA (0.39) CA2SMN1; SMN2GAAKCNK3PTPRA
SCHEMBL20187735 0.87 PTPRA (0.40) CA2SMN1; SMN2CYP1A2CYP2D6GAA
SCHEMBL20188026 0.85 MAPT (0.38) CA2SMN1; SMN2CYP1A2CYP2D6GAA
SCHEMBL20190022 0.85 PTPRA (0.39) CA2SMN1; SMN2CYP1A2CYP2D6GAA

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 4 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
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 CA2 3125/4885SMN1; SMN2 3011/4885CYP1A2 201/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 CA2 3125/4885SMN1; SMN2 3011/4885CYP1A2 201/4885

“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.