SCHEMBL20149705

SCHEMBL20149705

Cn1cc(CC(N)C(=O)OCC2CCNCC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.55
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
ARG1 P05089 1/20 0.44
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
HTR4 Q13639 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPY5R Q15761 1/20 0.39
GPR84 Q9NQS5 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
SCHEMBL18395931 1.00 SLC6A4 (0.55) SLC6A4ALDH1A1MAPTRECQLARG1
Hydrochloric Acid SCHEMBL18395437 0.99 SLC6A4 (0.56) SLC6A4ALDH1A1MAPTRECQLARG1
Phosphoric Acid SCHEMBL18396245 0.96 SLC6A4 (0.51) SLC6A4ALDH1A1MAPTRECQLARG1
Sulfuric Acid SCHEMBL18395716 0.96 SLC6A4 (0.51) SLC6A4ALDH1A1MAPTRECQLARG1
Sulfuric Acid SCHEMBL18395715 0.96 SLC6A4 (0.51) SLC6A4ALDH1A1MAPTRECQLARG1
Phosphoric Acid SCHEMBL30025576 0.96 SLC6A4 (0.51) SLC6A4ALDH1A1MAPTRECQLARG1
Sulfuric Acid SCHEMBL30025453 0.96 SLC6A4 (0.51) SLC6A4ALDH1A1MAPTRECQLARG1
Sulfuric Acid SCHEMBL22393227 0.96 SLC6A4 (0.51) SLC6A4ALDH1A1MAPTRECQLARG1
Sulfuric Acid SCHEMBL22393226 0.96 SLC6A4 (0.51) SLC6A4ALDH1A1MAPTRECQLARG1
SCHEMBL23668053 0.95 SLC6A4 (0.50) SLC6A4ALDH1A1MAPTRECQLARG1

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
CN-111004167-B Salts and prodrugs of 1-methyl-D-tryptophan 新联基因公司 2024-03-22 CN disclosed
CN-111004167-A Salts and prodrugs of 1-methyl-D-tryptophan 新联基因公司 2020-04-14 CN disclosed
EP-3613420-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN Newlink Genetics Corporation (US) 2020-02-26 EP disclosed
US-10207990-B2 Salts and prodrugs of 1-methyl-D-tryptophan NEWLINK GENETICS CORPORATION (US) 2019-02-19 US disclosed
US-20180134658-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA, INC. 2018-05-17 US disclosed
US-20180134658-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA, INC. 2018-05-17 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-10207990-B2 Salts and prodrugs of 1-methyl-D-tryptophan IDO1, IDO2, INMT SLC6A4 21/4885ALDH1A1 634/4885MAPT 2135/4885
US-20180134658-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN IDO1, IDO2, INMT SLC6A4 21/4885ALDH1A1 634/4885MAPT 2135/4885

“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.