SCHEMBL1335307

SCHEMBL1335307

CCCCC(NC(=O)c1ccccc1C=Cc1ccc(CN2CCC(C)CC2)cc1)C(=O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 14/20 0.58
CTSB P07858 5/20 0.58
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
CTSL P07711 2/20 0.51
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
HDAC1 Q13547 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
SCHEMBL1335306 1.00 CAPN1 (0.58) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1334122 0.91 CAPN1 (0.60) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1334124 0.91 CAPN1 (0.60) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1334153 0.90 CAPN1 (0.59) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1334155 0.90 CAPN1 (0.59) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1335406 0.88 CAPN1 (0.65) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1335408 0.88 CAPN1 (0.65) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1930489 0.81 CAPN1 (0.86) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1930492 0.81 CAPN1 (0.86) CAPN1CTSBCTSSCTSKCTSL
Hydrochloric Acid SCHEMBL1333121 0.80 CAPN1 (0.84) CAPN1CTSBCTSSCTSKCTSL

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 6 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

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 3328/4885CTSS 3563/4885
US-20040082569-A1 Calcium channel blockers; cardiovascular disorders; antiarthritic agents CACNA1C, CACNA1E, RYR1 CAPN1 862/4885CTSB 2425/4885CTSS 2541/4885
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 10/4885CTSS 4/4885

“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.