SCHEMBL541668

SCHEMBL541668

CCC(N)(CC)c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.48
CYP2A6 P11509 2/20 0.48
CYP19A1 P11511 3/20 0.45
LOXL2 Q9Y4K0 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
EPHX2 P34913 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABCC9 O60706 1/20 0.36
KCNJ11 Q14654 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL20273007 0.82 ESR1 (0.40)
SCHEMBL6623450 0.79 MEN1 (0.34)
SCHEMBL4410037 0.78 KIF11 (0.47) KIF11CYP2A6CYP19A1LOXL2ALDH1A1
SCHEMBL30526000 0.77 KIF11 (0.55) KIF11CYP2A6CYP19A1LOXL2ALDH1A1
SCHEMBL3434654 0.77 KIF11 (0.55) KIF11CYP2A6CYP19A1LOXL2ALDH1A1
SCHEMBL19965674 0.77 KIF11 (0.55) KIF11CYP2A6CYP19A1LOXL2ALDH1A1
SCHEMBL11713425 0.76 MAPT (0.47) ALDH1A1CA12CA2CA9HSD17B10
SCHEMBL156260 0.76 KIF11 (0.59) KIF11CYP2A6CYP19A1LOXL2ALDH1A1
SCHEMBL23588043 0.75 KIF11 (0.53) KIF11CYP2A6CYP19A1LOXL2ALDH1A1
SCHEMBL22680624 0.75 KIF11 (0.53) KIF11CYP2A6CYP19A1LOXL2ALDH1A1

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 12 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
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 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 KIF11 4679/4885CYP2A6 247/4885CYP19A1 3554/4885
US-20080234329-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 KIF11 4679/4885CYP2A6 247/4885CYP19A1 3554/4885
US-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 KIF11 4679/4885CYP2A6 247/4885CYP19A1 3554/4885
US-20130245003-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAMK2A, CAPN2, CAPN1 KIF11 4679/4885CYP2A6 247/4885CYP19A1 3554/4885

“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.