SCHEMBL5333905

SCHEMBL5333905

CC(C)(C)OC(=O)N1CCNCC1c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
HTR2B P41595 6/20 0.47
HTR2A P28223 5/20 0.47
TERT O14746 2/20 0.46
NR1H2 P55055 3/20 0.41
PARP1 P09874 1/20 0.41
MAPK1 P28482 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NR1H3 Q13133 2/20 0.39
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL30873752 0.90 TACR1 (0.43) HTR2CHTR2BHTR2ANR1H2PARP1
SCHEMBL30502301 0.89 HTR2C (0.44) HTR2CHTR2BHTR2ANR1H2PARP1
SCHEMBL31556646 0.88 NR1H2 (0.53) HTR2CHTR2BHTR2ANR1H2PARP1
SCHEMBL873237 0.87 RAD52 (0.41) HTR2CHTR2BHTR2ATERTNR1H2
SCHEMBL27887751 0.85 NR1H2 (0.38) HTR2CHTR2BHTR2ATERTNR1H2
SCHEMBL27904545 0.85 NR1H2 (0.38) HTR2CHTR2BHTR2ATERTNR1H2
SCHEMBL27747418 0.85 NR1H2 (0.38) HTR2CHTR2BHTR2ATERTNR1H2
SCHEMBL22285173 0.85 NR1H2 (0.49) NR1H2PARP1MAPK1NR1H3GPR119
SCHEMBL874416 0.85 NR1H2 (0.49) NR1H2PARP1MAPK1NR1H3GPR119
SCHEMBL4325057 0.85 NR1H2 (0.49) NR1H2PARP1MAPK1NR1H3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768806-A Substituted 1,2, 3-triazole compound, preparation method thereof and application thereof in preventing and treating plant diseases 中国农业大学 2023-09-19 CN disclosed
CN-115991679-A 2-oxothiazole derivatives as A2A inhibitors and compounds for the treatment of cancer 伊忒欧斯比利时股份公司 2023-04-21 CN disclosed
CN-115873022-A 2-oxothiazole derivatives as A2A inhibitors and compounds for the treatment of cancer 伊忒欧斯比利时股份公司 2023-03-31 CN disclosed
CN-110678472-B 2-oxothiazole derivatives as A2A inhibitors and compounds for the treatment of cancer 伊忒欧斯比利时股份公司 2023-01-24 CN disclosed
CN-110678472-A 2-oxothiazole derivatives as A2A inhibitors and compounds for the treatment of cancer 伊忒欧斯治疗公司 2020-01-10 CN disclosed
CN-101754761-B Compositions, synthesis, and methods of using quinolinone based atypical antipsychotic agents REVIVA PHARMACEUTICALS INC 2014-06-18 CN disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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 (1 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R HTR2C 149/4885HTR2B 189/4885HTR2A 164/4885

“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.