SCHEMBL1246052

SCHEMBL1246052

CC(C)c1nc(C(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cs1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 11/20 0.64
▸ CHRM3 P20309 11/20 0.64
▸ SCD5 Q86SK9 1/20 0.42
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ GFER P55789 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ EPHX2 P34913 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) CHRM2CHRM3SCD5PIK3CAMTOR
SCHEMBL1246663 0.86 CHRM2 (0.73) CHRM2CHRM3GFERKMT2AEPHX2
SCHEMBL2140545 0.86 CHRM2 (0.47) CHRM2CHRM3SCD5GFERKMT2A
SCHEMBL1247151 0.85 CHRM2 (0.64) CHRM2CHRM3SCD5PIK3CAMTOR
SCHEMBL2139301 0.83 CHRM2 (0.44) CHRM2CHRM3SCD5PIK3CAMTOR
SCHEMBL2142176 0.83 CHRM2 (0.54) CHRM2CHRM3SCD5PIK3CAMTOR
SCHEMBL1246736 0.82 CHRM2 (0.67) CHRM2CHRM3GFERKMT2A
Hydrochloric Acid SCHEMBL16279442 0.81 CHRM2 (0.66) CHRM2CHRM3GFERKMT2AJAK1
SCHEMBL2141662 0.81 CHRM2 (0.53) CHRM2CHRM3SCD5USP2SMN1; SMN2
Hydrochloric Acid SCHEMBL1246725 0.81 CHRM2 (0.66) CHRM2CHRM3GFERKMT2AJAK1

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 45 patents — showing the first 20. 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-20160002261-A1 Process ASTRAZENECA AB (SE) 2016-01-07 — — US disclosed
US-20160002261-A1 Process ASTRAZENECA AB (SE) 2016-01-07 — — US disclosed
US-20160002261-A1 Process ASTRAZENECA AB (SE) 2016-01-07 — — US disclosed
US-20140364601-A1 PROCESS ASTRAZENECA AB (SE) 2014-12-11 — — US disclosed
US-20140364601-A1 PROCESS ASTRAZENECA AB (SE) 2014-12-11 — — US disclosed
US-20140364601-A1 PROCESS ASTRAZENECA AB (SE) 2014-12-11 — — US disclosed
EP-2707362-A1 PROCESS AstraZeneca AB (SE) 2014-03-19 — — EP disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 — — US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 — — US disclosed
WO-2011012897-A1 NEW COMBINATIONS FOR THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2011-02-03 — — WO disclosed
WO-2011012897-A1 NEW COMBINATIONS FOR THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2011-02-03 — — WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 — — EP 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
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
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 — — WO disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 — — 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-20140364601-A1 PROCESS CYP1A2, CYP3A4, CYP11B2 CHRM2 3666/4885CHRM3 3835/4885SCD5 3121/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 CHRM2 2419/4885CHRM3 2714/4885SCD5 1382/4885
US-20160002261-A1 Process CYP1A2, CYP11B2, CYP2F1 CHRM2 3740/4885CHRM3 4106/4885SCD5 3205/4885

“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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