SCHEMBL31369969

SCHEMBL31369969

N[C@@H](Cc1ncc2ccccc2n1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
HSD17B10 Q99714 1/20 0.42
TPH1 P17752 2/20 0.42
CYP1A2 P05177 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
CYP3A4 P08684 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
SCHEMBL5623659 0.76 KDM4E (0.49) HSD17B10CYP1A2
SCHEMBL839033 0.75 CYP1A2 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL502039 0.75 CYP1A2 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29430134 0.75 CYP1A2 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL502040 0.75 CYP1A2 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL287095 0.75 TPH1 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL30969128 0.75 TPH1 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL287073 0.75 TPH1 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL31614353 0.75 TPH1 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8208523 0.75 TPH1 (0.62) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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 (1 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 SLC7A5 66/4885ALPI 4682/4885PKM 3898/4885

“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.