SCHEMBL21643076

SCHEMBL21643076

N#Cc1cn2cc(C[C@H](N)C(=O)O)ncc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
SLC1A3 P43003 1/20 0.35
GRIA1 P42261 3/20 0.34
GRIA2 P42262 3/20 0.34
GRIA3 P42263 3/20 0.34
GRIA4 P48058 3/20 0.34
SLC7A5 Q01650 2/20 0.33
TPH1 P17752 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
GRIK1 P39086 1/20 0.33
TYR P14679 5/20 0.32
ALPI P09923 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 0.32
CYP2C19 P33261 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL21643077 1.00 CYP1A2 (0.35) CYP1A2SLC1A3GRIA1GRIA2GRIA3
SCHEMBL21643023 0.79 TYR (0.47) CYP1A2SLC7A5TPH1HSD17B10CYP3A4
SCHEMBL21643024 0.79 TYR (0.47) CYP1A2SLC7A5TPH1HSD17B10CYP3A4
SCHEMBL31757440 0.78 FFAR1 (0.38)
SCHEMBL21643037 0.78 HSD17B10 (0.39) CYP1A2SLC1A3GRIA1GRIA2GRIA3
SCHEMBL21643035 0.78 HSD17B10 (0.39) CYP1A2SLC1A3GRIA1GRIA2GRIA3
SCHEMBL21643055 0.75 CYP1A2 (0.38) CYP1A2SLC1A3SLC7A5HSD17B10GRIK1
SCHEMBL21643057 0.75 CYP1A2 (0.38) CYP1A2SLC1A3SLC7A5HSD17B10GRIK1
SCHEMBL4179744 0.73 PTGS1 (0.37) PTGS1
SCHEMBL31757482 0.68 CTSS (0.38)

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-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 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-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 CYP1A2 4866/4885SLC1A3 367/4885GRIA1 2562/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 CYP1A2 4866/4885SLC1A3 367/4885GRIA1 2562/4885

“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.