SCHEMBL2139301

SCHEMBL2139301

CC(C)c1csc(C(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 10/20 0.44
▸ CHRM3 P20309 10/20 0.44
▸ PIK3CA P42336 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ SCD5 Q86SK9 1/20 0.38
▸ MGLL Q99685 2/20 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
▸ NAMPT P43490 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
SCHEMBL2141433 0.86 CHRM2 (0.50) CHRM2CHRM3
SCHEMBL1246052 0.83 CHRM2 (0.64) CHRM2CHRM3PIK3CAMTORSCD5
SCHEMBL2143098 0.82 CHRM2 (0.46) CHRM2CHRM3PIK3CAMTORJAK1
SCHEMBL2143363 0.80 CHRM2 (0.61) CHRM2CHRM3PIK3CAMTORSCD5
SCHEMBL2139756 0.77 CHRM3 (0.42) CHRM2CHRM3PIK3CAMTORSCD5
SCHEMBL1247151 0.77 CHRM2 (0.64) CHRM2CHRM3PIK3CAMTORSCD5
SCHEMBL2143133 0.77 SMN1; SMN2 (0.52) CHRM2CHRM3PIK3CAMTORSCD5
SCHEMBL2142828 0.77 HPGD (0.55) CHRM2CHRM3PIK3CAMTORSCD5
SCHEMBL2142176 0.75 CHRM2 (0.54) CHRM2CHRM3PIK3CAMTORSCD5
SCHEMBL17328261 0.75 EPHX2 (0.58) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 — — US 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
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 — — US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 — — US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 — — US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 — — EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 — — US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 — — US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 — — US disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 — — EP 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 (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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 CHRM2 3668/4885CHRM3 4265/4885PIK3CA 2158/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 CHRM2 2419/4885CHRM3 2714/4885PIK3CA 1804/4885

“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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