SCHEMBL1246085

SCHEMBL1246085

CC(C)(C)OC(=O)N1CCOC2(C1)CN(C(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.47
CYP3A4 P08684 8/20 0.47
CYP2C9 P11712 7/20 0.47
CYP2C19 P33261 5/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 6/20 0.44
ALDH1A1 P00352 3/20 0.44
HIF1A Q16665 3/20 0.44
USP2 O75604 3/20 0.44
CYP1A2 P05177 4/20 0.43
ATM Q13315 1/20 0.43
SCD5 Q86SK9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.41
ALOX15 P16050 1/20 0.41
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL19341596 0.91 CYP3A4 (0.49) CYP2D6CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL6523902 0.83 CYP3A4 (0.52) CYP2D6CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL19327139 0.81 MGLL (0.44) CYP2D6CYP3A4CYP2C9USP2SMN1; SMN2
SCHEMBL25713283 0.80 USP2 (0.49) KMT2AMEN1TSHRALDH1A1USP2
SCHEMBL31282961 0.78 CYP3A4 (0.53) CYP2D6CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4013471 0.78 KMT2A (0.67) CYP2D6CYP3A4CYP2C9KMT2AMEN1
SCHEMBL31309984 0.77 SMN1; SMN2 (0.54) USP2SCD5SMN1; SMN2MGLL
SCHEMBL29297396 0.77 CYP2D6 (0.62) CYP2D6CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL18263789 0.76 CYP2D6 (0.62) CYP2D6CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL19320653 0.76 USP2 (0.53) KMT2AMEN1ALDH1A1USP2SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
EP-3201195-A1 SPIROCYCLIC DERIVATIVES Chronos Therapeutics Limited (GB) 2017-08-09 EP disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO 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-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
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP 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-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 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 (3 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 CYP2D6 648/4885CYP3A4 532/4885CYP2C9 121/4885
US-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 CYP2D6 372/4885CYP3A4 1808/4885CYP2C9 875/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CYP2D6 648/4885CYP3A4 532/4885CYP2C9 121/4885

“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.