SCHEMBL25355776

SCHEMBL25355776

CN[C@@H](Cc1ccnc(OC)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
ITGA4 P13612 2/20 0.44
ITGB7 P26010 1/20 0.44
ACACB O00763 2/20 0.43
FFAR1 O14842 1/20 0.41
CTSA P10619 1/20 0.41
FPR2 P25090 2/20 0.40
PPARG P37231 1/20 0.39
CNR1 P21554 1/20 0.39
LDHA P00338 1/20 0.39
ITGB1 P05556 1/20 0.39
WNT3A P56704 1/20 0.39
PTPN1 P18031 1/20 0.38
KLKB1 P03952 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL25355781 1.00 LOX (0.49) LOXLOXL2ITGA4ITGB7ACACB
SCHEMBL26985727 0.81 ALDH1A1 (0.47) LOXLOXL2ITGA4ITGB7ACACB
SCHEMBL31407804 0.81 ACE (0.55) ITGA4ITGB7PPARGITGB1PTPN1
SCHEMBL14860326 0.81 ACE (0.55) ITGA4ITGB7PPARGITGB1PTPN1
SCHEMBL31407461 0.81 ACE (0.55) ITGA4ITGB7PPARGITGB1PTPN1
SCHEMBL27127891 0.81 ALDH1A1 (0.47) LOXLOXL2ITGA4ITGB7ACACB
SCHEMBL25357726 0.80 GABRP (0.54) PPARG
SCHEMBL25357821 0.80 LOX (0.55) LOXLOXL2ACACBFFAR1
SCHEMBL31747001 0.80 LOX (0.55) LOXLOXL2ACACBFFAR1
SCHEMBL31688543 0.80 GABRP (0.54) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US claimed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP LOX 2651/4885LOXL2 3210/4885ITGA4 3686/4885

“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.