SCHEMBL2138543

SCHEMBL2138543

CC(C)c1nc(C(=O)N2CC(F)(F)OC3(CCN(Cc4cccc(CCNC[C@H](O[Si](C)(C)C(C)(C)C)c5ccc(O)c6[nH]c(=O)ccc56)c4)CC3)C2)cs1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.44
CHRM2 P08172 6/20 0.44
ADRB2 P07550 6/20 0.40
ADRB1 P08588 4/20 0.37
ADRA1D P25100 2/20 0.37
DRD2 P14416 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
SCHEMBL2138554 1.00 CHRM3 (0.44) CHRM3CHRM2ADRB2ADRB1ADRA1D
SCHEMBL2140858 0.92 CHRM3 (0.55) CHRM3CHRM2ADRB2ADRB1ADRA1D
SCHEMBL2140874 0.92 CHRM3 (0.55) CHRM3CHRM2ADRB2ADRB1ADRA1D
SCHEMBL10241987 0.91 CHRM3 (0.47) CHRM3CHRM2ADRB2ADRB1ADRA1D
SCHEMBL2139343 0.88 ADRB2 (0.41) CHRM3ADRB2ADRB1ADRA1DDRD2
SCHEMBL2139328 0.88 ADRB2 (0.41) CHRM3ADRB2ADRB1ADRA1DDRD2
SCHEMBL2143092 0.86 CHRM3 (0.43) CHRM3CHRM2ADRB2ADRB1ADRA1D
SCHEMBL2140531 0.85 CHRM3 (0.44) CHRM3CHRM2ADRB2ADRB1ADRA1D
SCHEMBL2140542 0.85 CHRM3 (0.44) CHRM3CHRM2ADRB2ADRB1ADRA1D
SCHEMBL10242031 0.84 ADRB2 (0.44) CHRM3CHRM2ADRB2ADRB1DRD2

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 8 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-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-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US 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 CHRM3 4265/4885CHRM2 3668/4885ADRB2 1366/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 CHRM3 2714/4885CHRM2 2419/4885ADRB2 218/4885

“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.