SCHEMBL20187724

SCHEMBL20187724

CC(C)C[C@H](N)C(=O)NCCCC(=O)NC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HDAC6 Q9UBN7 4/20 0.42
HDAC1 Q13547 2/20 0.42
SCN9A Q15858 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HRH2 P25021 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

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
SCHEMBL20187725 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHDAC6HDAC1SCN9A
SCHEMBL20188352 0.88 HDAC6 (0.43) ALDH1A1HDAC6HDAC1GPR88HTT
SCHEMBL20187756 0.88 HDAC6 (0.43) ALDH1A1HDAC6HDAC1GPR88HTT
SCHEMBL20187757 0.88 HDAC6 (0.43) ALDH1A1HDAC6HDAC1GPR88HTT
SCHEMBL20188238 0.88 ALDH1A1 (0.44) ALDH1A1LMNASCN9AGPR88HTT
SCHEMBL20188235 0.88 ALDH1A1 (0.44) ALDH1A1LMNASCN9AGPR88HTT
SCHEMBL20188420 0.87 LTA4H (0.46) HDAC6HDAC1SMN1; SMN2TRPV1GRIN2D
SCHEMBL20188418 0.87 LTA4H (0.46) HDAC6HDAC1SMN1; SMN2TRPV1GRIN2D
SCHEMBL20188041 0.86 FNTA (0.46) HDAC6HDAC1TLR2NPY1R
SCHEMBL20188037 0.86 FNTA (0.46) HDAC6HDAC1TLR2NPY1R

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 ALDH1A1 2783/4885LMNA 2527/4885HDAC6 2369/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 ALDH1A1 2783/4885LMNA 2527/4885HDAC6 2369/4885

“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.