SCHEMBL2141602

SCHEMBL2141602

O=C(O)N(Cc1ccc(OCCN2CCC3(CC2)CN(C(=O)c2nc4ccccc4s2)CCO3)cc1)CC(O)c1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.44
CHRM3 P20309 3/20 0.44
ADRB1 P08588 9/20 0.38
LTA4H P09960 6/20 0.36
DRD3 P35462 2/20 0.36
KCNH2 Q12809 2/20 0.35
CHRM2 P08172 2/20 0.33
GHSR Q92847 1/20 0.33
DRD2 P14416 2/20 0.33

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
SCHEMBL2142978 0.94 ADRB2 (0.42) ADRB2CHRM3ADRB1LTA4HDRD3
SCHEMBL2142994 0.94 ADRB2 (0.42) ADRB2CHRM3ADRB1LTA4HDRD3
SCHEMBL10242576 0.89 ADRB2 (0.50) ADRB2CHRM3ADRB1DRD3DRD2
Formic Acid SCHEMBL2142446 0.88 ADRB2 (0.49) ADRB2CHRM3ADRB1DRD3DRD2
Formic Acid SCHEMBL2142418 0.88 ADRB2 (0.49) ADRB2CHRM3ADRB1DRD3DRD2
SCHEMBL2139288 0.87 CHRM3 (0.44) ADRB2CHRM3ADRB1DRD3CHRM2
SCHEMBL2142281 0.86 ADRB2 (0.45) ADRB2CHRM3ADRB1DRD3DRD2
SCHEMBL2141745 0.86 ADRB2 (0.48) ADRB2CHRM3ADRB1DRD3CHRM2
SCHEMBL2143037 0.85 CHRM3 (0.50) ADRB2CHRM3ADRB1DRD3CHRM2
SCHEMBL2141253 0.85 ADRB2 (0.61) ADRB2CHRM3ADRB1DRD3CHRM2

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 ADRB2 1366/4885CHRM3 4265/4885ADRB1 970/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 ADRB2 218/4885CHRM3 2714/4885ADRB1 199/4885

“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.