SCHEMBL75745

SCHEMBL75745

CCNC1(C#N)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.42
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.37
PDE7A Q13946 4/20 0.35
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL13668648 0.90
SCHEMBL14401968 0.81 CTSL (0.35) PDE4A
SCHEMBL27643350 0.80 PDE4A (0.30) PDE4A
SCHEMBL14401966 0.80 DPP4 (0.32) PDE4A
SCHEMBL16846923 0.78 PDE4A (0.33) PDE4A
SCHEMBL27283730 0.77 PDE4A (0.34) PDE4ACYP1A2GAAPDE7A
SCHEMBL7744910 0.77 PDE4A (0.35) PDE4ACYP1A2GAAPDE7AALDH1A1
SCHEMBL15229352 0.76 PDE4A (0.37) PDE4ACYP1A2GAAPDE7AKDM4E
SCHEMBL3330295 0.74 MEN1 (0.44) PDE4A
SCHEMBL26883500 0.74

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-20150299120-A1 Spirohydantoin compounds and their use as selective androgen receptor modulators AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-10-22 US disclosed
US-20150299120-A1 Spirohydantoin compounds and their use as selective androgen receptor modulators AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-10-22 US disclosed
US-20150299120-A1 Spirohydantoin compounds and their use as selective androgen receptor modulators AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-10-22 US disclosed
US-20150148344-A1 QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2015-05-28 US disclosed
EP-2819999-A1 SPIROHYDANTOIN COMPOUNDS AND THEIR USE AS SELECTIVE ANDROGEN RECEPTOR MODULATORS Novartis AG (CH) 2015-01-07 EP disclosed
WO-2013128421-A1 SPIROHYDANTOIN COMPOUNDS AND THEIR USE AS SELECTIVE ANDROGEN RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-09-06 WO disclosed
WO-2013128421-A1 SPIROHYDANTOIN COMPOUNDS AND THEIR USE AS SELECTIVE ANDROGEN RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-09-06 WO disclosed
US-8129423-B2 1-Adamantan-2-yl-3-benzyl-1,3-dihydro-imidazol-2-one; 11beta-hydroxysteroid dehydrogenases (11beta-HSD) inhibitor; antidiabetic, hypotensive, hypoglycemic agent; resist hyperglycemia provoked by obesity or stress; HOFFMAN-LA ROCHE INC. (US) 2012-03-06 US disclosed
EP-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 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 (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-20150148344-A1 QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD7, BRD3 PDE4A 3106/4885CYP1A2 3706/4885GAA 4399/4885
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HSD11B1, HSD17B1, HSD17B11 PDE4A 487/4885CYP1A2 67/4885GAA 3162/4885
US-20150299120-A1 Spirohydantoin compounds and their use as selective androgen receptor modulators NR5A1, AR, SRD5A1 PDE4A 572/4885CYP1A2 196/4885GAA 4658/4885

“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.