SCHEMBL3510897

SCHEMBL3510897

Cc1csc([C@H]2CCCN2C(=O)c2cc(C(N)=O)ccn2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
TRPC3 Q13507 3/20 0.41
TRPC6 Q9Y210 3/20 0.41
POLB P06746 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
TRPA1 O75762 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
SCD O00767 1/20 0.38
MAP3K12 Q12852 1/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 1/20 0.38
TP53BP1 Q12888 1/20 0.38
SCD5 Q86SK9 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
SCHEMBL3510901 1.00 GRM5 (0.43) GRM5CPT2CPT1ATRPC3TRPC6
SCHEMBL2319475 0.91 CPT2 (0.44) GRM5CPT2CPT1ATRPC3TRPC6
SCHEMBL475649 0.91 CPT2 (0.44) GRM5CPT2CPT1ATRPC3TRPC6
SCHEMBL11970708 0.88 CPT1A (0.43) GRM5CPT2CPT1ATRPC3TRPC6
SCHEMBL475467 0.88 CPT1A (0.43) GRM5CPT2CPT1ATRPC3TRPC6
SCHEMBL3511008 0.85 PARP14 (0.45) GRM5CPT2CPT1ATRPC3TRPC6
SCHEMBL3511003 0.85 PARP14 (0.45) GRM5CPT2CPT1ATRPC3TRPC6
SCHEMBL2726312 0.85 POLB (0.40) GRM5CPT2CPT1ATRPC3TRPC6
SCHEMBL2726932 0.84 CPT2 (0.45) GRM5CPT2CPT1ATRPC3TRPC6
SCHEMBL27901455 0.82 TRPV1 (0.41) CPT2CPT1ATRPC3TRPC6POLB

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 GRM5 1261/4885CPT2 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.