SCHEMBL1010906

SCHEMBL1010906

CCOC(=O)c1cnc(N2CC3C(CN)C3C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
OGA O60502 1/20 0.42
HDAC3 O15379 9/20 0.38
HDAC4 P56524 9/20 0.38
HDAC1 Q13547 9/20 0.38
HDAC7 Q8WUI4 9/20 0.38
HDAC2 Q92769 9/20 0.38
HDAC10 Q969S8 9/20 0.38
HDAC11 Q96DB2 9/20 0.38
HDAC8 Q9BY41 9/20 0.38
HDAC6 Q9UBN7 9/20 0.38
HDAC9 Q9UKV0 9/20 0.38
HDAC5 Q9UQL6 9/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
PIK3CA P42336 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
SCHEMBL8203125 0.88 ACACB (0.50) ACACBOGAHDAC3HDAC4HDAC1
SCHEMBL12723461 0.85 ACACB (0.50) ACACBOGAHDAC3HDAC4HDAC1
SCHEMBL12760571 0.84 ACACB (0.52) ACACBOGAHDAC3HDAC4HDAC1
SCHEMBL8244150 0.84 ACACB (0.53) ACACBOGAPOLBMAPTLMNA
Hydrochloric Acid SCHEMBL1011914 0.83 ACACB (0.52) ACACBOGAPOLBMAPTLMNA
SCHEMBL8205621 0.82 ACACB (0.49) ACACBOGAHDAC3HDAC4HDAC1
SCHEMBL649475 0.80 OGA (0.47) ACACBOGAHDAC1HDAC6POLB
SCHEMBL12723454 0.79 ACACB (0.53) ACACBOGAHDAC3HDAC4HDAC1
SCHEMBL12723479 0.79 ACACB (0.51) ACACBOGAHDAC3HDAC4HDAC1
SCHEMBL1010636 0.79 ACACB (0.45) ACACBOGAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476289-B2 Aza-bicyclohexyl substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylace JANSSEN PHARMACEUTICA NV (BE) 2013-07-02 US disclosed
EP-2274301-B1 AZA-BICYCLOHEXYL SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2012-09-26 EP disclosed
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
US-20110015218-A1 AZA-BICYCLOHEXYL SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
EP-2274301-A1 AZA-BICYCLOHEXYL SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE Janssen Pharmaceutica, N.V. (BE) 2011-01-19 EP disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
WO-2009118370-A1 AZA-BICYCLOHEXYL SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2009-10-01 WO disclosed
EP-1881977-A1 HISTONE DEACETYLASE INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-30 EP disclosed
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 WO disclosed
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 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-20110015218-A1 AZA-BICYCLOHEXYL SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC2 ACACB 642/4885OGA 1472/4885HDAC3 5/4885
US-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 ACACB 1153/4885OGA 1579/4885HDAC3 6/4885

“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.