SCHEMBL2143272

SCHEMBL2143272

CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4cc(CCNC[C@H](OC(=O)C(F)(F)F)c5ccc(OC(=O)C(F)(F)F)c6[nH]c(=O)sc56)ccc4Cl)CC3)C2)cs1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.50
CHRM2 P08172 15/20 0.50
ADRB2 P07550 3/20 0.49
MGLL Q99685 2/20 0.33
ADRB1 P08588 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA1D P25100 1/20 0.31

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
SCHEMBL2138669 0.96 CHRM3 (0.53) CHRM3CHRM2ADRB2MGLLADRB1
SCHEMBL2142984 0.95 CHRM3 (0.54) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL2143064 0.93 CHRM3 (0.52) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL2142256 0.92 CHRM3 (0.52) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL1275828 0.92 CHRM3 (0.59) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL2142634 0.92 CHRM3 (0.48) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL2141192 0.91 CHRM3 (0.54) CHRM3CHRM2ADRB2MGLLADRB1
SCHEMBL2141674 0.91 CHRM3 (0.51) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL2142180 0.91 CHRM3 (0.50) CHRM3CHRM2ADRB2MGLLADRB1
SCHEMBL2143069 0.91 CHRM3 (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.