SCHEMBL1334129

SCHEMBL1334129

COc1ccc(C=Cc2ccc(CN(C)C)cc2)c(C(=O)NC(C=O)Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 15/20 0.61
CTSB P07858 4/20 0.47
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45

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
SCHEMBL1334128 1.00 CAPN1 (0.61) CAPN1CTSBCTSSCTSKACHE
SCHEMBL1335331 0.89 CAPN1 (0.47) CAPN1CTSBCTSSCTSKACHE
SCHEMBL1335329 0.89 CAPN1 (0.47) CAPN1CTSBCTSSCTSKACHE
SCHEMBL6570575 0.87 CAPN1 (0.50) CAPN1CTSBCTSSCTSKACHE
SCHEMBL1335152 0.87 CAPN1 (0.78) CAPN1CTSBCTSSCTSK
SCHEMBL1335154 0.87 CAPN1 (0.78) CAPN1CTSBCTSSCTSK
SCHEMBL1335366 0.77 CAPN1 (0.75) CAPN1CTSBCTSSCTSK
SCHEMBL7787053 0.76 CAPN1 (1.00) CAPN1CTSBCTSSCTSK
SCHEMBL7787056 0.76 CAPN1 (1.00) CAPN1CTSBCTSSCTSK
SCHEMBL7787776 0.75 CAPN1 (1.00) CAPN1CTSBCTSSCTSK

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.