SCHEMBL6522093

SCHEMBL6522093

COC(CNCC(C)C)OC

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36

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
SCHEMBL7290876 0.88
SCHEMBL14363657 0.85 ANPEP (0.32) ANPEPADH1BADH1CADH1A
SCHEMBL64203 0.78
SCHEMBL24818595 0.78 ANPEP (0.37) ANPEPADH1BADH1CADH1A
SCHEMBL20301673 0.78 ANPEP (0.37) ANPEPADH1BADH1CADH1A
SCHEMBL20301671 0.78 ANPEP (0.37) ANPEPADH1BADH1CADH1A
SCHEMBL1558672 0.77 MEN1 (0.35)
SCHEMBL24400305 0.77
SCHEMBL6523928 0.76
SCHEMBL399646 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245000-B1 PROCESS OF PREPARATION OF OPTICALLY ACTIVE ALPHA AMINOACETALS CLARIANT SPECIALTY FINE CHEM F (FR) 2013-01-02 EP claimed
EP-4230628-A1 TRIHETEROCYCLIC DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2023-08-23 EP disclosed
CN-102625808-B Spirocyclic amide derivatives ASTRAZENECA AB 2014-08-27 CN disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
WO-2011048409-A1 CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ASTRAZENECA AB (SE) 2011-04-28 WO disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
WO-2009154557-A1 BENZOXAZINONE DERIVATIVES ACTING AS BETA2-ADRENORECEPTOR AGONIST FOR THE TREATMENT OF RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2009-12-23 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 (2 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 ANPEP 2086/4885ADH1B 756/4885ADH1C 56/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 ANPEP 2086/4885ADH1B 756/4885ADH1C 56/4885

“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.