SCHEMBL556981

SCHEMBL556981

CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.47
ESR2 Q92731 1/20 0.37
NR1H2 P55055 2/20 0.36
GPR119 Q8TDV5 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
STS P08842 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8232783 0.92 ADORA1 (0.43) ADORA1GPR119MEN1KMT2AALDH1A1
SCHEMBL5731159 0.91 ADORA1 (0.47) ADORA1ESR2NR1H2GPR119MEN1
SCHEMBL23040402 0.90 ADORA1 (0.40) ADORA1GPR119MEN1KMT2AALDH1A1
SCHEMBL12243830 0.88 ADORA1 (0.49) ADORA1ESR2NR1H2GPR119MEN1
SCHEMBL951903 0.88 NR1H2 (0.42) ADORA1ESR2NR1H2SMN1; SMN2STS
SCHEMBL3992432 0.88 ADORA1 (0.37) ADORA1MEN1KMT2AALDH1A1GAA
SCHEMBL1082333 0.86 ESR1 (0.39) ADORA1ESR2MEN1KMT2AALDH1A1
SCHEMBL4298228 0.86 ADORA1 (0.43) ADORA1ESR2NR1H2GPR119SMN1; SMN2
SCHEMBL30340774 0.84 HTT (0.37) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL13382352 0.83 ESR2 (0.41) ADORA1ESR2NR1H2GPR119SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367821-B1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2015-09-16 EP claimed
US-20110312951-A1 C-Ring Modified Tricyclic Benzonaphthiridinone Protein Kinase Inhibitors and Use Thereof MERCK PATENT GMBH (DE) 2011-12-22 US claimed
EP-2367821-A1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2011-09-28 EP claimed
WO-2010077530-A1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2010-07-08 WO claimed
EP-4562000-A1 AMINOHETEROARYL KINASE INHIBITORS Allorion Therapeutics Inc (US) 2025-06-04 EP disclosed
CN-119630652-A Amino heteroaryl kinase inhibitors 安锐生物医药公司 2025-03-14 CN disclosed
US-20250066349-A1 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2025-02-27 US disclosed
US-20250049772-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-13 US disclosed
US-20250026721-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K VIVIDION THERAPEUTICS, INC. 2025-01-23 US disclosed
WO-2025007074-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2025-01-02 WO disclosed
EP-4444420-A2 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
US-12005054-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-11 US disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO disclosed
EP-1372653-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2006-10-04 EP disclosed
US-7015235-B2 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2006-03-21 US disclosed
US-20060035935-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists GOULET MARK T 2006-02-16 US disclosed
EP-1372653-A4 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2005-10-05 EP disclosed
US-20040097546-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
EP-1372653-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-01-02 EP disclosed
WO-2002068387-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2002-09-06 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 (7 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-20250026721-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K KRAS, HRAS, NRAS ADORA1 4570/4885ESR2 2087/4885NR1H2 1773/4885
US-20060035935-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R ADORA1 1191/4885ESR2 1268/4885NR1H2 1553/4885
US-12005054-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates SSTR4, SSTR3, NPY4R ADORA1 237/4885ESR2 748/4885NR1H2 1215/4885
US-20250049772-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R ADORA1 237/4885ESR2 748/4885NR1H2 1215/4885
US-20040097546-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R ADORA1 1191/4885ESR2 1268/4885NR1H2 1553/4885
US-20110312951-A1 C-Ring Modified Tricyclic Benzonaphthiridinone Protein Kinase Inhibitors and Use Thereof PRKCB, PNCK, PACSIN2 ADORA1 4509/4885ESR2 2053/4885NR1H2 3097/4885
US-20250066349-A1 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DYRK2, DYRK1A, PYGB ADORA1 1880/4885ESR2 1772/4885NR1H2 3300/4885

“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.