SCHEMBL2142176

SCHEMBL2142176

CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1csc(-c3ccccc3)n1)CCO2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 11/20 0.54
▸ CHRM3 P20309 11/20 0.54
▸ SCD5 Q86SK9 1/20 0.52
▸ ACKR3 P25106 2/20 0.52
▸ HPGDS O60760 1/20 0.43
▸ HTR2C P28335 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 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
SCHEMBL12101034 0.91 CHRM2 (0.53) CHRM2CHRM3SCD5ACKR3HPGDS
SCHEMBL2141128 0.87 CHRM2 (0.58) CHRM2CHRM3HTR2CEPHX2
SCHEMBL2143363 0.85 CHRM2 (0.61) CHRM2CHRM3SCD5EPHX2PIK3CA
SCHEMBL6912745 0.84 ACKR3 (0.66) SCD5ACKR3HPGDSHTR2C
SCHEMBL1246052 0.83 CHRM2 (0.64) CHRM2CHRM3SCD5EPHX2PIK3CA
SCHEMBL1247151 0.83 CHRM2 (0.64) CHRM2CHRM3SCD5PIK3CAMTOR
SCHEMBL17328261 0.82 EPHX2 (0.58) CHRM2CHRM3SCD5EPHX2PIK3CA
SCHEMBL2140846 0.82 CHRM2 (0.55) CHRM2CHRM3HTR2C
SCHEMBL31687490 0.81 ACKR3 (0.63) SCD5ACKR3HPGDSHTR2C
SCHEMBL17328213 0.81 CHRM2 (0.56) CHRM2CHRM3SCD5EPHX2PIK3CA

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 4265/4885SCD5 2283/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 CHRM2 2419/4885CHRM3 2714/4885SCD5 1382/4885

“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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