SCHEMBL18407259

SCHEMBL18407259

CN(C)CCOC(=O)[C@@H](N)Cc1cn(C)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 1/20 0.45
KDM4E B2RXH2 3/20 0.44
GPR84 Q9NQS5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR2A P28223 1/20 0.43
CHRM1 P11229 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
PTGS2 P35354 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ARG1 P05089 1/20 0.41
HTR5A P47898 1/20 0.41
SCN9A Q15858 1/20 0.41
CA2 P00918 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
SCHEMBL18396286 1.00 MAPT (0.49) MAPTALDH1A1RECQLPOLBKDM4E
SCHEMBL30025033 1.00 MAPT (0.49) MAPTALDH1A1RECQLPOLBKDM4E
SCHEMBL21747179 1.00 MAPT (0.49) MAPTALDH1A1RECQLPOLBKDM4E
Hydrochloric Acid SCHEMBL18395666 0.99 ALDH1A1 (0.48) MAPTALDH1A1RECQLPOLBKDM4E
SCHEMBL29314028 0.85 ALDH1A1 (0.53) MAPTALDH1A1RECQLKDM4EGPR84
SCHEMBL23677906 0.84 ALDH1A1 (0.54) MAPTALDH1A1RECQLKDM4EGPR84
SCHEMBL18395823 0.84 ALDH1A1 (0.54) MAPTALDH1A1RECQLKDM4EGPR84
SCHEMBL30584520 0.84 ALDH1A1 (0.54) MAPTALDH1A1RECQLKDM4EGPR84
SCHEMBL29314703 0.84 ALDH1A1 (0.49) MAPTALDH1A1RECQLKDM4EGPR84
Hydrochloric Acid SCHEMBL18395289 0.83 ALDH1A1 (0.53) MAPTALDH1A1RECQLKDM4EGPR84

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134658-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA, INC. 2018-05-17 US disclosed
US-9732035-B2 Salts and prodrugs of 1-methyl-D-tryptophan NEWLINK GENETICS CORPORATION (US) 2017-08-15 US disclosed
US-20170022157-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA, INC. 2017-01-26 US 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-20170022157-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN IDO1, IDO2, INMT MAPT 2135/4885ALDH1A1 634/4885RECQL 2301/4885
US-20180134658-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN IDO1, IDO2, INMT MAPT 2135/4885ALDH1A1 634/4885RECQL 2301/4885

“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.