SCHEMBL20187755

SCHEMBL20187755

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.40
RIPK1 Q13546 1/20 0.39
HRH2 P25021 1/20 0.39
CYP1A2 P05177 2/20 0.39
CTRB1 P17538 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
LMNA P02545 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC1 Q13547 2/20 0.37
CYP2D6 P10635 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
SCHEMBL20190461 0.90 PTPRA (0.40) PTPRARIPK1HRH2CYP1A2CTRB1
SCHEMBL20189072 0.89 CYP1A2 (0.40) PTPRARIPK1HRH2CYP1A2CTRB1
SCHEMBL20188908 0.89 CTRB1 (0.41) PTPRARIPK1HRH2CYP1A2CTRB1
SCHEMBL20189089 0.88 GRIN2D (0.42) PTPRARIPK1HRH2CYP1A2CTRB1
SCHEMBL22457372 0.86 PTPRA (0.48) PTPRAHRH2CYP1A2CTRB1GRIN2D
SCHEMBL20190939 0.86 PTPRA (0.48) PTPRAHRH2CYP1A2CTRB1GRIN2D
SCHEMBL20188948 0.84 GRIN2D (0.43) PTPRARIPK1HRH2CYP1A2CTRB1
SCHEMBL20190484 0.83 GRIN2D (0.44) PTPRARIPK1HRH2CYP1A2CTRB1
SCHEMBL20189064 0.83 GRIN2D (0.44) PTPRARIPK1HRH2CYP1A2CTRB1
SCHEMBL20187824 0.83 RIPK1 (0.42) PTPRARIPK1HRH2CYP1A2CTRB1

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 2768/4885RIPK1 506/4885HRH2 843/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 PTPRA 2768/4885RIPK1 506/4885HRH2 843/4885

“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.