SCHEMBL1247151

SCHEMBL1247151

CCc1nc(C(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cs1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 12/20 0.64
▸ CHRM3 P20309 12/20 0.64
▸ PIK3CA P42336 2/20 0.45
▸ MTOR P42345 2/20 0.45
▸ SCD5 Q86SK9 1/20 0.42
▸ JAK1 P23458 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2143363 0.87 CHRM2 (0.61) CHRM2CHRM3PIK3CAMTORSCD5
SCHEMBL1247018 0.86 CHRM2 (0.70) CHRM2CHRM3CNR2
SCHEMBL1246052 0.85 CHRM2 (0.64) CHRM2CHRM3PIK3CAMTORSCD5
SCHEMBL2142176 0.83 CHRM2 (0.54) CHRM2CHRM3PIK3CAMTORSCD5
SCHEMBL1246045 0.82 CHRM2 (0.67) CHRM2CHRM3PIK3CAMTORJAK1
SCHEMBL2141662 0.81 CHRM2 (0.53) CHRM2CHRM3SCD5USP2SMN1; SMN2
SCHEMBL1247313 0.79 CHRM2 (0.60) CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL1246666 0.79 CHRM2 (0.60) CHRM2CHRM3PIK3CAMTORJAK1
SCHEMBL17328261 0.79 EPHX2 (0.58) CHRM2CHRM3PIK3CAMTORSCD5
SCHEMBL2139301 0.77 CHRM2 (0.44) CHRM2CHRM3PIK3CAMTORSCD5

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
EP-2459572-B1 SPIROCYCLIC AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2018-09-12 — — EP 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
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
WO-2010067102-A1 DIAZASPIRO [5.5] UNDECANE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC-RECEPTOR ANTAGONISTS AND BETA-ADRENORECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY DISORDERS ASTRAZENECA AB (SE) 2010-06-17 — — 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 CHRM2 157/4885CHRM3 97/4885PIK3CA 4365/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM2 157/4885CHRM3 97/4885PIK3CA 4365/4885

“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.

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