SCHEMBL2303235

SCHEMBL2303235

CC(C)(C)OC(=O)C1C2CCCC1CC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
PREP P48147 3/20 0.37
MAPK1 P28482 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
GPR119 Q8TDV5 4/20 0.33
GAA P10253 1/20 0.33
EPHX1 P07099 2/20 0.33
NR1H2 P55055 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL6154139 0.98 BTK (0.39) BTKPREPMAPK1HRH3CHRM2
SCHEMBL23925520 0.90 BTK (0.40) BTKPREPMAPK1HRH3CHRM2
SCHEMBL18435732 0.88 BTK (0.41) BTKPREPMAPK1HRH3CHRM2
SCHEMBL16213867 0.83 HRH3 (0.38) BTKPREPMAPK1HRH3CHRM2
SCHEMBL6926352 0.83 CHRM2 (0.40) BTKPREPMAPK1HRH3CHRM2
SCHEMBL12968568 0.83 CHRM2 (0.40) BTKPREPMAPK1HRH3CHRM2
SCHEMBL15170766 0.80 CHRNB2 (0.40) PREPMAPK1HRH3CHRM2CHRM1
SCHEMBL1297808 0.79 BTK (0.38) BTKPREPMAPK1HRH3CHRM2
SCHEMBL9324226 0.78 PREP (0.55) PREPHRH3HPGDGPR119EPHX1
SCHEMBL18906437 0.78 CHRM2 (0.37) BTKPREPMAPK1HRH3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2021-12-09 US claimed
WO-2024051852-A1 PYRIMIDINE-CONTAINING POLYCYCLIC BIOLOGICAL INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2024-03-14 WO disclosed
WO-2023197984-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND 成都海博为药业有限公司 2023-10-19 WO disclosed
CN-114222743-A Oxoaxamembered ring pyrimidine compounds, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2022-03-22 CN disclosed
CN-113968856-A Compounds with kinase inhibition activity 上海赛岚生物科技有限公司 2022-01-25 CN disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
CN-105829315-A Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2016-08-03 CN disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO disclosed
EP-2536730-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 Novartis AG (CH) 2012-12-26 EP disclosed
WO-2011101409-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2011-08-25 WO disclosed
EP-1989202-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-11-12 EP disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
EP-1833826-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2007093604-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-08-23 WO disclosed
WO-2006069276-A2 TRICYCLIC ō-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
WO-2003068233-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 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-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 BTK 3582/4885PREP 3785/4885MAPK1 3150/4885

“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.