SCHEMBL4211279

SCHEMBL4211279

CCOC(=O)c1cnc(N2CCC(O)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ACACB O00763 1/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
PDE5A O76074 1/20 0.44
AOC3 Q16853 2/20 0.43
PIK3CA P42336 1/20 0.41
OPRK1 P41145 2/20 0.41
P2RY12 Q9H244 2/20 0.41
FDFT1 P37268 1/20 0.40
PTPN11 Q06124 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39

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
SCHEMBL15994455 0.89 OGA (0.49) OGATDP1ACACBPOLBMAPT
SCHEMBL15994451 0.88 OGA (0.48) OGATDP1ACACBPOLBMAPT
SCHEMBL753762 0.88 OGA (0.48) OGAACACBPOLBMAPTHRH3
SCHEMBL24880761 0.86 ACACB (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL24880446 0.86 HRH3 (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL24881050 0.86 ACACB (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL24126692 0.86 OGA (0.53) OGAACACBPOLBMAPTHRH3
SCHEMBL2622717 0.86 OGA (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL6984326 0.85 MAPT (0.57) OGAACACBPOLBMAPTHRH3
SCHEMBL12952642 0.85 POLB (0.54) OGAACACBPOLBMAPTPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961741-B1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUND PARA LA INVESTIG MEDICA APLICADA (ES) 2017-04-05 EP disclosed
US-9573956-B2 Compounds as dual inhibitors of phosphodiesterases and histone deacetylases FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-02-21 US disclosed
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-01-07 US disclosed
EP-2961741-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES Fundacion para la Investigacion Medica Aplicada (ES) 2016-01-06 EP disclosed
WO-2014131855-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2014-09-04 WO disclosed
US-8563741-B2 CDK inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-10-22 US disclosed
US-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-09 US disclosed
WO-2009036016-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 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 (2 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-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CDK3, CDKL1, CDKL3 OGA 2990/4885TDP1 1024/4885ACACB 1799/4885
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES PDE1A, HDAC1, HDAC2 OGA 648/4885TDP1 35/4885ACACB 392/4885

“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.