SCHEMBL1333100

SCHEMBL1333100

CCOC(=O)c1cccnc1/C=C/c1ccc(CN(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.56
CTSB P07858 2/20 0.56
ALDH1A1 P00352 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLK4 O00444 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
PPIA P62937 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1333103 1.00 CAPN1 (0.56) CAPN1CTSBALDH1A1HDAC3HDAC6
SCHEMBL6570784 0.84 CAPN1 (0.63) CAPN1CTSBALDH1A1HDAC3HDAC6
Dimethylamine SCHEMBL1333106 0.82 FGF23 (0.47) CAPN1CTSBALDH1A1HTTTSHR
SCHEMBL1335346 0.81 CAPN1 (0.54) CAPN1CTSBALDH1A1HDAC3HDAC6
SCHEMBL1335348 0.81 CAPN1 (0.54) CAPN1CTSBALDH1A1HDAC3HDAC6
Hydrochloric Acid SCHEMBL6800822 0.77 TSHR (0.44) ALDH1A1HTTTSHRL3MBTL1MEN1
SCHEMBL2085783 0.75 TSHR (0.56) ALDH1A1HTTTSHRL3MBTL1MAPK1
SCHEMBL8867558 0.74 TSHR (0.49) ALDH1A1HTTTSHRL3MBTL1MAPK1
SCHEMBL8867567 0.74 TSHR (0.49) ALDH1A1HTTTSHRL3MBTL1MAPK1
SCHEMBL8866464 0.73 TSHR (0.54) ALDH1A1HTTTSHRL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275615-A1 NOVEL SUBSTITUTED AMIDES, THEIR PREPARATION AND USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-11-10 US disclosed
US-7956093-B2 Substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-06-07 US disclosed
US-20080113989-A1 For example, N-(1-Carbamoyl-1-oxo-3-phenylpropan-2-yl)-2-(E-2-(4-(1-pyrrolidinylmethyl)phenyl)ethen-1-yl)benzamide; calcium channel blockers; cardiovascular disorders; antiarthritic agents; inhibitors of enzymes, especially cysteine proteases such as calpain and cathepsins ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-05-15 US disclosed
US-7276500-B2 Calcium channel blockers; cardiovascular disorders; antiarthritic agents ABBOTT GMBH & CO. KG (DE) 2007-10-02 US disclosed
US-6753327-B1 NEURODEGENERATIVE DISORDER OR NEURONAL DAMAGE TREATMENT; INHIBITORS OF CALPAIN OR CATHEPSIN CYSTEINE PROTEASES; ANTIISCHEMIC AGENTS; REPERFUSION INJURIES ABBOTT GMBH & CO. KG (DE) 2004-06-22 US disclosed
US-20040082569-A1 Calcium channel blockers; cardiovascular disorders; antiarthritic agents ABBOTT GMBH & CO., KG 2004-04-29 US disclosed
EP-1073641-B1 NEW SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2004-04-14 EP 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 (3 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-20110275615-A1 NOVEL SUBSTITUTED AMIDES, THEIR PREPARATION AND USE CBR3, CBR1, HRH4 CAPN1 3398/4885CTSB 3328/4885ALDH1A1 3765/4885
US-20040082569-A1 Calcium channel blockers; cardiovascular disorders; antiarthritic agents CACNA1C, CACNA1E, RYR1 CAPN1 862/4885CTSB 2425/4885ALDH1A1 3451/4885
US-20080113989-A1 For example, N-(1-Carbamoyl-1-oxo-3-phenylpropan-2-yl)-2-(E-2-(4-(1-pyrrolidinylmethyl)phenyl)ethen-1-yl)benzamide; calcium channel blockers; cardiovascular disorders; antiarthritic agents; inhibitors of enzymes, especially cysteine proteases such as calpain and cathepsins CAPN1, CAPNS1, CAPN2 CAPN1 1/4885CTSB 10/4885ALDH1A1 1709/4885

“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.