SCHEMBL540981

SCHEMBL540981

CCN(CC)Cc1ccc(C(C)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.71
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.57
PYCR1 P32322 1/20 0.54
ACHE P22303 2/20 0.54
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
HIF1A Q16665 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
BCHE P06276 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 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
SCHEMBL4883083 0.89 LMNA (0.62) HRH3HDAC8HDAC6KMT2AACHE
SCHEMBL13679679 0.86 HDAC8 (0.68) HRH3HDAC8HDAC6POLBACHE
SCHEMBL4289838 0.84 HDAC8 (0.66) HRH3HDAC8HDAC6ACHEALDH1A1
SCHEMBL5393101 0.82 HDAC8 (0.64) HRH3HDAC8HDAC6POLBACHE
SCHEMBL7809399 0.82 HDAC8 (0.64) HRH3HDAC8HDAC6POLBACHE
Hydrochloric Acid SCHEMBL6297059 0.82 HDAC8 (0.64) HRH3HDAC8HDAC6POLBACHE
Hydrochloric Acid SCHEMBL9837835 0.81 HDAC8 (0.62) HRH3HDAC8HDAC6POLBACHE
SCHEMBL608633 0.80 HRH3 (0.57) HRH3HDAC8HDAC6POLBPYCR1
SCHEMBL7768079 0.80 HRH3 (0.84) HRH3HDAC8HDAC6PYCR1
SCHEMBL16187980 0.79 ACHE (0.63) HRH3HDAC8HDAC6ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139557-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-09-22 US disclosed
US-20130245003-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2013-09-19 US disclosed
US-8436034-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2013-05-07 US disclosed
EP-2121653-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2012-02-08 EP disclosed
US-20100298326-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-11-25 US disclosed
US-7799809-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2010-09-21 US disclosed
US-7728012-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2010-06-01 US disclosed
EP-2121653-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2009-11-25 EP disclosed
US-20080234329-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-09-25 US disclosed
US-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-09-25 US disclosed
WO-2008080969-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2008-07-10 WO 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 (4 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-20100298326-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 HRH3 2483/4885HDAC8 398/4885HDAC6 395/4885
US-20080234329-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 HRH3 2483/4885HDAC8 398/4885HDAC6 395/4885
US-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 HRH3 2483/4885HDAC8 398/4885HDAC6 395/4885
US-20130245003-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAMK2A, CAPN2, CAPN1 HRH3 2483/4885HDAC8 398/4885HDAC6 395/4885

“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.