SCHEMBL31369841

SCHEMBL31369841

N[C@@H](CCC(=O)NC[C@H]1CCCNC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.44
CPB2 Q96IY4 2/20 0.44
CHEK1 O14757 2/20 0.39
KMT2A Q03164 2/20 0.39
PBK Q96KB5 5/20 0.38
EPHX1 P07099 1/20 0.38
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GSR P00390 1/20 0.37
CYP1A2 P05177 1/20 0.37
GRIK1 P39086 1/20 0.37
GRM5 P41594 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37

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
SCHEMBL31370250 1.00 CPN1 (0.44) CPN1CPB2CHEK1KMT2APBK
SCHEMBL31369631 0.92 SLC6A1 (0.41) CPN1CPB2KMT2AGRM8GRM6
SCHEMBL31369654 0.92 SLC6A1 (0.41) CPN1CPB2KMT2AGRM8GRM6
SCHEMBL31369784 0.87 SLC1A1 (0.44) KMT2AGRM8GRM6GRIN2DGRIN3B
SCHEMBL1768564 0.83 ALOX15 (0.43) CPN1CPB2KMT2AEPHX1GRM8
SCHEMBL1768567 0.83 ALOX15 (0.43) CPN1CPB2KMT2AEPHX1GRM8
SCHEMBL2241135 0.79 EPHX1 (0.46) CPN1CPB2KMT2AEPHX1SMN1; SMN2
SCHEMBL6371444 0.79 CPN1 (0.51) CPN1CPB2KMT2AEPHX1GRM8
SCHEMBL31369645 0.78 SLC1A1 (0.39) KMT2AGRM8GRM6GRIN2DGRIN3B
SCHEMBL31370273 0.78 SLC1A1 (0.39) KMT2AGRM8GRM6GRIN2DGRIN3B

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 CPN1 2334/4885CPB2 1133/4885CHEK1 4428/4885

“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.