SCHEMBL541008

SCHEMBL541008

CCC(O)(C(=O)O)C(N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
SLC6A2 P23975 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL304065 0.80 CYP1A2 (0.47) KDM4EALPIPKMPTGS1XIAP
SCHEMBL27481507 0.79 KDM4E (0.54) KDM4ELMNAMAPK1ALPIPKM
SCHEMBL1153705 0.79 KDM4E (0.58) KDM4ELMNAMAPK1ALPIPKM
SCHEMBL7038036 0.79 KDM4E (0.58) KDM4ELMNAMAPK1ALPIPKM
SCHEMBL1153707 0.79 KDM4E (0.58) KDM4ELMNAMAPK1ALPIPKM
SCHEMBL16447715 0.77 ALPI (0.53) KDM4ELMNAMAPK1ALPIPKM
SCHEMBL8540631 0.74 KDM4E (0.61) KDM4ELMNAMAPK1ALPIPKM
SCHEMBL1153493 0.74 KDM4E (0.61) KDM4ELMNAMAPK1ALPIPKM
SCHEMBL1153491 0.74 KDM4E (0.61) KDM4ELMNAMAPK1ALPIPKM
SCHEMBL5675489 0.74 KDM4E (0.66) KDM4ELMNAMAPK1ALPIPKM

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-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-09-25 US disclosed
US-20080234329-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 KDM4E 1852/4885LMNA 1155/4885MAPK1 2971/4885
US-20080234329-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 KDM4E 1852/4885LMNA 1155/4885MAPK1 2971/4885
US-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 KDM4E 1852/4885LMNA 1155/4885MAPK1 2971/4885
US-20130245003-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAMK2A, CAPN2, CAPN1 KDM4E 1852/4885LMNA 1155/4885MAPK1 2971/4885

“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.