SCHEMBL3511447

SCHEMBL3511447

CO[C@H]1CN[C@@H](C(N)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.39
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
GLI1 P08151 1/20 0.31

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
SCHEMBL28234838 1.00 CTSC (0.39) CTSCCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL1485819 1.00 CTSC (0.39) CTSCCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL19750647 1.00 CTSC (0.39) CTSCCYP1A2CYP2D6ALOX15CYP2C19
Hydrochloric Acid SCHEMBL30530762 0.98 CTSC (0.39) CTSCCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL14665843 0.82 CTSC (0.40) CTSCCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL7361978 0.82 CYP2D6 (0.52) CTSCCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL7338708 0.82 CYP2D6 (0.52) CTSCCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL689400 0.82 CYP2D6 (0.52) CTSCCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL1269918 0.82 CYP2D6 (0.52) CTSCCYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL7338717 0.82 CYP2D6 (0.52) CTSCCYP1A2CYP2D6ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3355890-B1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2021-11-10 EP disclosed
US-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
EP-2205596-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2010-07-14 EP disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
US-20080234263-A1 Quinazoline Derivatives ASTRAZENECA (SE) 2008-09-25 US disclosed
EP-1664030-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026156-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-24 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 (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-20080234263-A1 Quinazoline Derivatives EGFR, ERBB2, ERBB3 CTSC 2792/4885CYP1A2 1011/4885CYP2D6 814/4885
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 CTSC 12/4885CYP1A2 3830/4885CYP2D6 4763/4885

“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.