SCHEMBL22441995

SCHEMBL22441995

NCC1(C(=O)N2CCC2C(=O)NC(Cc2ccccn2)c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
SLC6A4 P31645 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
F2 P00734 1/20 0.36
CTRB1 P17538 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD11B1 P28845 1/20 0.35
CTSK P43235 1/20 0.35
PTPRA P18433 1/20 0.35

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
SCHEMBL22441993 1.00 DPP4 (0.38) DPP4SLC6A4ITGB3ITGA2BF2
SCHEMBL20190375 0.96 DPP4 (0.38) DPP4SLC6A4ITGB3ITGA2BF2
SCHEMBL20190376 0.96 DPP4 (0.38) DPP4SLC6A4ITGB3ITGA2BF2
SCHEMBL20188988 0.87 F2 (0.41) DPP4SLC6A4ITGB3ITGA2BF2
SCHEMBL20188991 0.87 F2 (0.41) DPP4SLC6A4ITGB3ITGA2BF2
SCHEMBL20190651 0.85 CTRB1 (0.41) DPP4SLC6A4ITGB3ITGA2BF2
SCHEMBL20190649 0.85 CTRB1 (0.41) DPP4SLC6A4ITGB3ITGA2BF2
SCHEMBL20188311 0.80 F2 (0.45) DPP4ITGB3ITGA2BF2CTRB1
SCHEMBL20188440 0.80 F2 (0.45) DPP4ITGB3ITGA2BF2CTRB1
SCHEMBL24448344 0.80 DPP4 (0.46) DPP4ITGB3ITGA2BF2CTRB1

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 2 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

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 DPP4 751/4885SLC6A4 279/4885ITGB3 3845/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 DPP4 751/4885SLC6A4 279/4885ITGB3 3845/4885

“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.