SCHEMBL20188988

SCHEMBL20188988

NCCC(=O)N1CC[C@H]1C(=O)NC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.41
CTRB1 P17538 1/20 0.40
PRSS1 P07477 1/20 0.40
DPP4 P27487 2/20 0.40
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
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PTPRA P18433 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 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
SCHEMBL20188991 1.00 F2 (0.41) F2CTRB1PRSS1DPP4GRIN2D
SCHEMBL20188311 0.93 F2 (0.45) F2CTRB1PRSS1DPP4ITGB3
SCHEMBL20188440 0.93 F2 (0.45) F2CTRB1PRSS1DPP4ITGB3
SCHEMBL20190649 0.93 CTRB1 (0.41) F2CTRB1PRSS1DPP4GRIN2D
SCHEMBL20190651 0.93 CTRB1 (0.41) F2CTRB1PRSS1DPP4GRIN2D
SCHEMBL20859024 0.88 F2 (0.51) F2PRSS1DPP4
SCHEMBL24448344 0.87 DPP4 (0.46) F2CTRB1PRSS1DPP4ITGB3
SCHEMBL22441993 0.87 DPP4 (0.38) F2CTRB1DPP4GRIN2DGRIN3B
SCHEMBL22441995 0.87 DPP4 (0.38) F2CTRB1DPP4GRIN2DGRIN3B
SCHEMBL20188058 0.86 DPP4 (0.43) F2CTRB1PRSS1DPP4ITGB3

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 F2 1668/4885CTRB1 2717/4885PRSS1 1008/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 F2 1668/4885CTRB1 2717/4885PRSS1 1008/4885

“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.