SCHEMBL2143396

SCHEMBL2143396

Cc1nc(C(=O)N2CCOC3(CCN(Cc4ccc(CCNC[C@H](OC(=O)C(F)(F)F)c5ccc(OC(=O)C(F)(F)F)c6[nH]c(=O)sc56)cc4)CC3)C2)cs1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.51
CHRM2 P08172 16/20 0.51
ADRB2 P07550 3/20 0.46
ADRB1 P08588 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
MGLL Q99685 1/20 0.32

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
SCHEMBL2142412 0.96 CHRM3 (0.45) CHRM3CHRM2ADRB2ADRB1ADRA1D
SCHEMBL2141435 0.95 CHRM3 (0.51) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL2140570 0.94 CHRM3 (0.45) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL2141465 0.91 CHRM3 (0.42) CHRM3CHRM2ADRB2
SCHEMBL2139233 0.91 CHRM3 (0.45) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL2140666 0.90 CHRM3 (0.51) CHRM3CHRM2ADRB2MGLL
SCHEMBL2140962 0.90 CHRM3 (0.43) CHRM3CHRM2ADRB2
SCHEMBL2143064 0.89 CHRM3 (0.52) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL2141757 0.89 CHRM3 (0.42) CHRM3CHRM2ADRB2ADRB1DRD2
SCHEMBL2142256 0.89 CHRM3 (0.52) 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.