SCHEMBL16242519

SCHEMBL16242519

N[C@@H](CCCCNC(=O)CCCCCCCCC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.58
OTC P00480 1/20 0.53
BHMT Q93088 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
EPHX2 P34913 3/20 0.50
PRMT1 Q99873 1/20 0.50
GSR P00390 2/20 0.48
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
CYP1A2 P05177 1/20 0.48
GRIK1 P39086 1/20 0.48
GRM5 P41594 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48

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
SCHEMBL19034804 1.00 NOD1 (0.58) NOD1OTCBHMTTDP1EPHX2
SCHEMBL16242609 1.00 NOD1 (0.58) NOD1OTCBHMTTDP1EPHX2
SCHEMBL16242820 1.00 NOD1 (0.58) NOD1OTCBHMTTDP1EPHX2
SCHEMBL19034910 1.00 NOD1 (0.58) NOD1OTCBHMTTDP1EPHX2
SCHEMBL19034805 1.00 NOD1 (0.58) NOD1OTCBHMTTDP1EPHX2
SCHEMBL16242645 1.00 NOD1 (0.58) NOD1OTCBHMTTDP1EPHX2
SCHEMBL19034985 1.00 NOD1 (0.58) NOD1OTCBHMTTDP1EPHX2
SCHEMBL16242697 1.00 NOD1 (0.58) NOD1OTCBHMTTDP1EPHX2
SCHEMBL20652757 0.98 NOD1 (0.60) NOD1OTCBHMTTDP1EPHX2
SCHEMBL13611057 0.98 NOD1 (0.56) NOD1OTCBHMTTDP1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2813487-B1 BASIC AMINO ACID DERIVATIVE AJINOMOTO KK (JP) 2018-10-24 EP claimed
US-9198846-B2 Basic amino acid derivative AJINOMOTO CO., INC. (JP) 2015-12-01 US claimed
US-20140350128-A1 BASIC AMINO ACID DERIVATIVE AJINOMOTO CO., INC. (JP) 2014-11-27 US claimed
EP-2813487-B1 BASIC AMINO ACID DERIVATIVE AJINOMOTO KK (JP) 2018-10-24 EP disclosed
US-9198846-B2 Basic amino acid derivative AJINOMOTO CO., INC. (JP) 2015-12-01 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-20140350128-A1 BASIC AMINO ACID DERIVATIVE BCAT2, BCAT1, SLC7A1 NOD1 3568/4885OTC 670/4885BHMT 1895/4885

“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.