SCHEMBL753762

SCHEMBL753762

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.48
ACACB O00763 1/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
PTPN11 Q06124 1/20 0.41
PIK3CA P42336 1/20 0.41
P2RY12 Q9H244 3/20 0.40
KDM4E B2RXH2 2/20 0.40
FDFT1 P37268 1/20 0.40
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
CLK2 P49760 1/20 0.39
MAP4K2 Q12851 1/20 0.39
CAMK2D Q13557 1/20 0.39
DYRK1A Q13627 1/20 0.39
PIM3 Q86V86 1/20 0.39
AURKB Q96GD4 1/20 0.39
PRKD2 Q9BZL6 1/20 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
SCHEMBL12193392 0.92 ACACB (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL15994455 0.88 OGA (0.49) OGAACACBPOLBMAPTHRH3
SCHEMBL4211279 0.88 OGA (0.49) OGAACACBPOLBMAPTHRH3
SCHEMBL649475 0.87 OGA (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL15994451 0.86 OGA (0.48) OGAACACBPOLBMAPTHRH3
SCHEMBL8244150 0.86 ACACB (0.53) OGAACACBPOLBMAPTHRH3
SCHEMBL24881050 0.85 ACACB (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL24880761 0.85 ACACB (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL24880446 0.85 HRH3 (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL2622717 0.85 OGA (0.47) OGAACACBPOLBMAPTHRH3

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969744-B2 Compounds for use in cognition improvement FUNDACIÓN LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2018-05-15 US disclosed
US-20170217973-A1 NOVEL COMPOUNDS FOR USE IN COGNITION IMPROVEMENT FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-08-03 US disclosed
EP-3177622-A1 NOVEL COMPOUNDS FOR USE IN COGNITION IMPROVEMENT Fundacion para la Investigacion Medica Aplicada (ES) 2017-06-14 EP disclosed
US-9636341-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2017-05-02 US disclosed
US-9636341-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2017-05-02 US disclosed
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
WO-2016020307-A1 NOVEL COMPOUNDS FOR USE IN COGNITION IMPROVEMENT FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-02-11 WO 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
US-8193205-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 US disclosed
US-8193205-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 US disclosed
US-8138198-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE (FR) 2012-03-20 US disclosed
US-8138198-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE (FR) 2012-03-20 US disclosed
US-20110136841-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VERDONCK MARC GUSTAAF CELINE 2011-06-09 US disclosed
US-20110136841-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VERDONCK MARC GUSTAAF CELINE 2011-06-09 US disclosed
US-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE 2009-09-03 US disclosed
US-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE 2009-09-03 US disclosed
US-20090124646-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US disclosed
US-20090124646-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US 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 (5 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-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC2, HDAC3 OGA 2236/4885ACACB 603/4885POLB 511/4885
US-20090124646-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 OGA 1111/4885ACACB 396/4885POLB 729/4885
US-20170217973-A1 NOVEL COMPOUNDS FOR USE IN COGNITION IMPROVEMENT CHAT, NLN, GRIN2C OGA 479/4885ACACB 199/4885POLB 3000/4885
US-20110136841-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 OGA 1111/4885ACACB 396/4885POLB 729/4885
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES PDE1A, HDAC1, HDAC2 OGA 648/4885ACACB 392/4885POLB 386/4885

“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.