SCHEMBL6518034

SCHEMBL6518034

CCCCNC(C)(OC)OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALOX15 P16050 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
CA7 P43166 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 0.31
EPHX1 P07099 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
SCHEMBL6410655 0.78 CASP2 (0.36) TSHRALOX15CA1CA2CA12
SCHEMBL2843328 0.73
SCHEMBL20145294 0.73 EPHX1 (0.39) TSHRADH1BADH1CADH1AADH7
SCHEMBL2853355 0.73 LMNA (0.32)
SCHEMBL25290229 0.73
SCHEMBL269108 0.73
SCHEMBL3264052 0.72
SCHEMBL3264055 0.72
Iodide SCHEMBL11778186 0.70 TSHR (0.48) TSHRALOX15CA1CA2CA12
SCHEMBL6357143 0.70 TSHR (0.48) TSHRALOX15CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459572-B1 SPIROCYCLIC AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2018-09-12 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-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
CN-102625808-A Spirocyclic amide derivatives ASTRAZENECA AB 2012-08-01 CN disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 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 (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 TSHR 1318/4885ALOX15 2508/4885CA1 2579/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 TSHR 1318/4885ALOX15 2508/4885CA1 2579/4885

“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.