Sugi Predict

Sugi Predict / Compounds / SCHEMBL1639264

SCHEMBL1639264

SCHEMBL1639264

Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.65
▸ HDAC3 O15379 9/20 0.65
▸ OPRL1 P41146 5/20 0.58
▸ OPRM1 P35372 4/20 0.58
▸ OPRD1 P41143 4/20 0.58
▸ OPRK1 P41145 4/20 0.58
▸ KCNH2 Q12809 7/20 0.58
▸ PLD2 O14939 1/20 0.53
▸ PLD1 Q13393 1/20 0.53
▸ HDAC2 Q92769 1/20 0.52
▸ DRD2 P14416 2/20 0.51
▸ DRD4 P21917 2/20 0.51
▸ DRD3 P35462 2/20 0.51
▸ ADRA1D P25100 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ ADRA1B P35368 1/20 0.51

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
SCHEMBL1639075 0.82 HDAC1 (0.82) HDAC1HDAC3KCNH2HDAC2
SCHEMBL1639095 0.80 HDAC1 (0.90) HDAC1HDAC3KCNH2HDAC2
SCHEMBL4579730 0.80 HDAC1 (0.79) HDAC1HDAC3HDAC2
SCHEMBL1639796 0.79 HDAC1 (1.00) HDAC1HDAC3KCNH2HDAC2
SCHEMBL1639718 0.79 HDAC1 (1.00) HDAC1HDAC3KCNH2HDAC2
SCHEMBL7847623 0.76 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL2206238 0.75 HDAC1 (0.64) HDAC1HDAC3HDAC2
SCHEMBL2206242 0.75 HDAC1 (0.64) HDAC1HDAC3KCNH2HDAC2
SCHEMBL2206237 0.75 HDAC1 (0.66) HDAC1HDAC3KCNH2HDAC2
SCHEMBL1639099 0.74 HDAC1 (0.81) HDAC1HDAC3KCNH2HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US claimed
US-7834026-B2 histone deacetylase inhibitors; antiproliferative; antineoplastic; thioredoxin (TRX)-mediated diseases such as autoimmune, allergy, inflammatory diseases; and neurodegenerative diseases; N-(2-Aminophenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)nicotinamide; hydroxamic acid moiety MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US claimed
US-20090209566-A1 Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-08-20 — — US claimed
EP-1954698-B1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO INC (US) 2009-06-24 — — EP claimed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 — — US claimed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
US-20110098268-A1 SPIROCYCLIC COMPOUNDS MERCK & CO., INC (US) 2011-04-28 — — US disclosed
US-20110098268-A1 SPIROCYCLIC COMPOUNDS MERCK & CO., INC (US) 2011-04-28 — — US disclosed
US-7834026-B2 histone deacetylase inhibitors; antiproliferative; antineoplastic; thioredoxin (TRX)-mediated diseases such as autoimmune, allergy, inflammatory diseases; and neurodegenerative diseases; N-(2-Aminophenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)nicotinamide; hydroxamic acid moiety MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
US-20090209566-A1 Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-08-20 — — US disclosed
EP-1954698-B1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO INC (US) 2009-06-24 — — EP disclosed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 — — US disclosed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 — — US disclosed
WO-2007061978-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
WO-2007061880-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 — — US disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 — — 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 (4 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-20110098268-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 HDAC1 3/4885HDAC3 10/4885OPRL1 2781/4885
US-20090209566-A1 Spirocyclic Compounds NR1H2, RORA, NR2E3 HDAC1 12/4885HDAC3 8/4885OPRL1 703/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 HDAC1 3/4885HDAC3 10/4885OPRL1 2781/4885
US-20130131041-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 HDAC1 3/4885HDAC3 10/4885OPRL1 2781/4885

“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.