SCHEMBL31688872

SCHEMBL31688872

N[C@@H](Cc1ccn2ccnc2c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.48
HSD17B10 Q99714 2/20 0.48
PTGS1 P23219 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
EGFR P00533 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX15 P16050 1/20 0.48
HTR2A P28223 1/20 0.48
PTGS2 P35354 1/20 0.48
RECQL P46063 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 2/20 0.46
ALPI P09923 1/20 0.46
XIAP P98170 1/20 0.46
NAMPT P43490 1/20 0.45
GRIA2 P42262 1/20 0.43

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
SCHEMBL31370539 0.80 CPB2 (0.58) SLC7A5HSD17B10PTGS1KDM4EUSP2
Hydrochloric Acid SCHEMBL15376484 0.76 NAMPT (0.48) HSD17B10KDM4EPTGS2HIF1ATDP1
SCHEMBL25356909 0.72 HSD17B10 (0.54) SLC7A5HSD17B10PTGS1KDM4EUSP2
SCHEMBL25356904 0.72 HSD17B10 (0.54) SLC7A5HSD17B10PTGS1KDM4EUSP2
Hydrochloric Acid SCHEMBL31037253 0.72 KEAP1 (0.56) EGFRNAMPT
SCHEMBL29604446 0.71 GABRP (0.60) SLC7A5HSD17B10PTGS1KDM4EUSP2
SCHEMBL25354508 0.71 GABRP (0.60) SLC7A5HSD17B10PTGS1KDM4EUSP2
SCHEMBL22775321 0.71 GABRP (0.60) SLC7A5HSD17B10PTGS1KDM4EUSP2
SCHEMBL14780595 0.71 GABRP (0.60) SLC7A5HSD17B10PTGS1KDM4EUSP2
SCHEMBL24845983 0.70 PKM (0.64) SLC7A5HSD17B10PTGS1KDM4EUSP2

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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US claimed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP SLC7A5 20/4885HSD17B10 4316/4885PTGS1 4382/4885

“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.