SCHEMBL20189083

SCHEMBL20189083

NCCCC(=O)NC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.48
HDAC1 Q13547 2/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PTPRA P18433 1/20 0.46
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
HRH2 P25021 1/20 0.43
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
HRH1 P35367 1/20 0.41
ITGB5 P18084 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
SCHEMBL20187752 0.87 SMN1; SMN2 (0.44) HDAC6HDAC1GRIN2DGRIN3BGRIN1
SCHEMBL9321384 0.87 GRIN2D (0.51) HDAC6HDAC1GRIN2DGRIN3BGRIN1
SCHEMBL20189027 0.85 ITGB3 (0.47) HDAC6HDAC1GRIN2DGRIN3BGRIN1
SCHEMBL20188716 0.85 SMN1; SMN2 (0.47) HDAC6HDAC1GRIN2DGRIN3BGRIN1
SCHEMBL20188263 0.82 GRIN2D (0.47) HDAC6HDAC1GRIN2DGRIN3BGRIN1
SCHEMBL20188265 0.82 GRIN2D (0.47) HDAC6HDAC1GRIN2DGRIN3BGRIN1
SCHEMBL20188669 0.81 PTPRA (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20188382 0.81 PTPRA (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20188352 0.81 HDAC6 (0.43) HDAC6HDAC1GRIN2DGRIN3BGRIN1
SCHEMBL20187756 0.81 HDAC6 (0.43) HDAC6HDAC1GRIN2DGRIN3BGRIN1

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 HDAC6 2369/4885HDAC1 222/4885GRIN2D 58/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 HDAC6 2369/4885HDAC1 222/4885GRIN2D 58/4885

“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.