Sugi Predict

Sugi Predict / Compounds / SCHEMBL2622713

SCHEMBL2622713

SCHEMBL2622713

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.47
▸ ACACB O00763 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ PIK3CA P42336 1/20 0.39
▸ P2RY12 Q9H244 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP19A1 P11511 2/20 0.38
▸ FDFT1 P37268 1/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37

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
SCHEMBL4211279 0.85 OGA (0.49) OGAACACBPOLBMAPTHRH3
SCHEMBL9883424 0.85 OGA (0.46) OGAPOLBMAPTHRH3KMT2A
SCHEMBL15994455 0.85 OGA (0.49) OGAACACBPOLBMAPTHRH3
SCHEMBL15994451 0.84 OGA (0.48) OGAACACBPOLBMAPTHRH3
SCHEMBL753762 0.84 OGA (0.48) OGAACACBPOLBMAPTHRH3
SCHEMBL24880761 0.83 ACACB (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL24880446 0.83 HRH3 (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL24881050 0.83 ACACB (0.47) OGAACACBPOLBMAPTHRH3
SCHEMBL24126692 0.83 OGA (0.53) OGAACACBPOLBMAPTHRH3
SCHEMBL2622717 0.83 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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539267-B Evodiamine derivative and application thereof 中国人民解放军海军军医大学 2023-04-28 — — CN disclosed
CN-114539267-A Evodiamine derivative and application thereof 中国人民解放军海军军医大学 2022-05-27 — — CN 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
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2015-12-03 — — US disclosed
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2015-12-03 — — US disclosed
US-9150543-B2 Substituted indolyl alkyl amino derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N. V. (BE) 2015-10-06 — — US disclosed
US-9150543-B2 Substituted indolyl alkyl amino derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N. V. (BE) 2015-10-06 — — US disclosed
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2014-10-16 — — US disclosed
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2014-10-16 — — 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-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-09 — — US disclosed
US-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-09 — — 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
WO-2009036016-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 — — WO disclosed
US-20090018152-A1 Aminophenyl Derivatives as Novel Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-15 — — US disclosed
US-20090018153-A1 Substituted Indolyl-Alkyl-Amino-Derivatives as Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-15 — — US disclosed
US-20090018152-A1 Aminophenyl Derivatives as Novel Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-15 — — US disclosed
US-20090018153-A1 Substituted Indolyl-Alkyl-Amino-Derivatives as Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-15 — — 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 (6 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-20090018152-A1 Aminophenyl Derivatives as Novel Inhibitors of Histone Deacetylase HDAC1, HDAC9, HDAC11 OGA 3193/4885ACACB 905/4885POLB 716/4885
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-20090018153-A1 Substituted Indolyl-Alkyl-Amino-Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC3, HDAC2 OGA 1115/4885ACACB 360/4885POLB 660/4885
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 OGA 1076/4885ACACB 441/4885POLB 619/4885
US-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CDK3, CDKL1, CDKL3 OGA 2990/4885ACACB 1799/4885POLB 303/4885
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 OGA 1111/4885ACACB 396/4885POLB 729/4885

“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.

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