SCHEMBL20188026

SCHEMBL20188026

CN(CC(=O)NC(Cc1ccccn1)c1ccccc1)C(=O)CNC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTPRA P18433 1/20 0.36
HRH2 P25021 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PYGL P06737 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HTT P42858 1/20 0.35
GLA P06280 1/20 0.35
CA2 P00918 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL20189532 0.88 GAA (0.40) MAPTCYP1A2CYP2D6TSHRSMN1; SMN2
SCHEMBL20190841 0.87 GAA (0.39) MAPTCYP1A2CYP2D6TSHRSMN1; SMN2
SCHEMBL20189047 0.86 GPR139 (0.44) GAAMEN1KMT2APYGL
SCHEMBL20188296 0.86 GAA (0.39) MAPTCYP1A2CYP2D6TSHRSMN1; SMN2
SCHEMBL20188659 0.86 MAPT (0.41) MAPTCYP1A2CYP2D6TSHRSMN1; SMN2
SCHEMBL20187735 0.86 PTPRA (0.40) MAPTCYP1A2CYP2D6TSHRSMN1; SMN2
SCHEMBL20188095 0.86 CA2 (0.36) MAPTCYP1A2CYP2D6TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL20187767 0.86 GAA (0.37) MAPTCYP1A2CYP2D6TSHRSMN1; SMN2
SCHEMBL22457666 0.85 GAA (0.38) MAPTCYP1A2CYP2D6TSHRSMN1; SMN2
SCHEMBL20188367 0.85 CA2 (0.39) CYP1A2CYP2D6SMN1; SMN2GAAPTPRA

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 4 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
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 MAPT 3724/4885CYP1A2 201/4885CYP2D6 52/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 MAPT 3724/4885CYP1A2 201/4885CYP2D6 52/4885

“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.