SCHEMBL3513231

SCHEMBL3513231

Cc1csc([C@H]2CCCN2C(=O)c2cncc(C(N)=O)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
POLB P06746 1/20 0.39
GRM5 P41594 5/20 0.38
TRPV1 Q8NER1 2/20 0.38
BAZ2A Q9UIF9 1/20 0.38
TSHR P16473 1/20 0.38
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
HCRTR1 O43613 1/20 0.36
DRD2 P14416 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
GSK3A P49840 1/20 0.36
CDK9 P50750 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3513235 1.00 ALDH1A1 (0.40) ALDH1A1CPT2CPT1APOLBGRM5
SCHEMBL27901455 0.88 TRPV1 (0.41) ALDH1A1CPT2CPT1APOLBTRPV1
SCHEMBL3511008 0.87 PARP14 (0.45) CPT2CPT1APOLBGRM5TRPV1
SCHEMBL3511003 0.87 PARP14 (0.45) CPT2CPT1APOLBGRM5TRPV1
SCHEMBL11970871 0.85 CPT1A (0.41) CPT2CPT1APOLBTRPV1BAZ2A
SCHEMBL11970876 0.85 CPT1A (0.41) CPT2CPT1APOLBTRPV1BAZ2A
SCHEMBL11970316 0.84 CPT2 (0.42) ALDH1A1CPT2CPT1APOLBTRPV1
SCHEMBL11970326 0.84 CPT2 (0.42) ALDH1A1CPT2CPT1APOLBTRPV1
SCHEMBL11970356 0.82 ROCK2 (0.40) CPT2CPT1APOLBGRM5TRPV1
SCHEMBL11970351 0.82 ROCK2 (0.40) CPT2CPT1APOLBGRM5TRPV1

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-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

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-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 ALDH1A1 1430/4885CPT2 1089/4885CPT1A 2956/4885

“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.