SCHEMBL8256069

SCHEMBL8256069

O=C(O)[C@@H]1CNC[C@H](C(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP1A2 P05177 2/20 0.54
ALOX15 P16050 2/20 0.54
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.52
SLC6A1 P30531 2/20 0.52
SLC6A11 P48066 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC6A13 Q9NSD5 1/20 0.52
PMP22 Q01453 2/20 0.48
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 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
SCHEMBL1117719 1.00 CYP2D6 (0.54) CYP2D6CYP2C19CYP1A2ALOX15SLC1A3
SCHEMBL17743413 0.97 CYP2D6 (0.52) CYP2D6CYP2C19CYP1A2ALOX15SLC1A3
SCHEMBL8089095 0.88 CYP2D6 (0.47) CYP2D6CYP2C19CYP1A2ALOX15SLC1A3
SCHEMBL42967 0.88
Ammonia Solution, Strong SCHEMBL1014829 0.85
SCHEMBL17743430 0.85
Hydrochloric Acid SCHEMBL563782 0.85
Water SCHEMBL10853319 0.85
Fluoride SCHEMBL28171923 0.85
SCHEMBL1248549 0.85 CYP2D6 (0.46) CYP2D6CYP2C19CYP1A2ALOX15SLC1A3

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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO 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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 CYP2D6 4089/4885CYP2C19 4465/4885CYP1A2 4081/4885

“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.