SCHEMBL20190722

SCHEMBL20190722

CNCC(=O)NCC(=O)NC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 1/20 0.42
SLC6A9 P48067 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL20190939 0.95 PTPRA (0.48) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL22457372 0.95 PTPRA (0.48) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL20189027 0.86 ITGB3 (0.47) PTPRAITGB3ITGAVITGA2BITGB5
SCHEMBL20188361 0.85 HTT (0.45) PTPRASLC6A9SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20188364 0.85 HTT (0.45) PTPRASLC6A9SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20188789 0.85 HTT (0.45) PTPRASLC6A9SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20188691 0.83 KMT2A (0.47) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL20188694 0.83 KMT2A (0.47) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL20188173 0.83 SMN1; SMN2 (0.42) PTPRAITGB3ITGAVITGA2BITGB5
SCHEMBL20187735 0.82 PTPRA (0.40) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT

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 PTPRA 2768/4885ITGB3 3845/4885ITGAV 4536/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 PTPRA 2768/4885ITGB3 3845/4885ITGAV 4536/4885

“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.