SCHEMBL1639199

SCHEMBL1639199

CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)O)=NO2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.57
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SCD5 Q86SK9 1/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 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
SCHEMBL31470380 0.95 GPR119 (0.53) GPR119USP2SMN1; SMN2SCD5ALOX15
SCHEMBL13811458 0.88 GPR119 (0.57) GPR119USP2SMN1; SMN2SCD5ALOX15
SCHEMBL25383112 0.86 GPR119 (0.46) GPR119USP2SMN1; SMN2SCD5ALOX15
SCHEMBL2401311 0.85 GPR119 (0.52) GPR119USP2SMN1; SMN2ALOX15TP53
SCHEMBL13170189 0.84 GPR119 (0.50) GPR119USP2SMN1; SMN2SCD5
SCHEMBL12901537 0.83 GPR119 (0.49) GPR119USP2SMN1; SMN2OPRD1OPRK1
SCHEMBL12901469 0.83 GPR119 (0.49) GPR119USP2SMN1; SMN2
SCHEMBL31470342 0.83 GPR119 (0.50) GPR119USP2SMN1; SMN2ALOX15TP53
SCHEMBL2402380 0.82 GPR119 (0.40) GPR119USP2SMN1; SMN2HSD17B10TSHR
SCHEMBL22829676 0.81 GPR119 (0.48) GPR119USP2SMN1; SMN2OPRD1OPRK1

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
EP-3829559-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
EP-3876928-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2024-10-23 EP disclosed
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 US disclosed
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 US disclosed
EP-3876928-A2 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-09-15 EP disclosed
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-09-09 US disclosed
EP-3829559-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-06-09 EP disclosed
WO-2020028150-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2020-02-06 WO disclosed
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US 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
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US 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
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 US disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 GPR119 628/4885USP2 3195/4885SMN1; SMN2 1584/4885
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC3 GPR119 1127/4885USP2 2060/4885SMN1; SMN2 4336/4885
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 GPR119 2131/4885USP2 4839/4885SMN1; SMN2 4677/4885
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection HDAC1, HDAC11, HDAC10 GPR119 1049/4885USP2 2465/4885SMN1; SMN2 4251/4885
US-20210276992-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC10 GPR119 1049/4885USP2 2465/4885SMN1; SMN2 4251/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 GPR119 1604/4885USP2 1997/4885SMN1; SMN2 705/4885

“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.