SCHEMBL4139539

SCHEMBL4139539

O=C(CCN1CCC(NC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1)NCc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.53
CHRM3 P20309 11/20 0.53
ADRB1 P08588 6/20 0.50
SLC6A2 P23975 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SRSF6 Q13247 1/20 0.49
CYP1B1 Q16678 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49

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
SCHEMBL4139530 1.00 ADRB2 (0.53) ADRB2CHRM3ADRB1SLC6A2ADRA1D
SCHEMBL13939005 0.93 ADRB2 (0.53) ADRB2CHRM3ADRB1SLC6A2ADRA1D
SCHEMBL4135026 0.92 ADRB2 (0.58) ADRB2CHRM3
SCHEMBL4135042 0.92 ADRB2 (0.58) ADRB2CHRM3
SCHEMBL28778869 0.92 ADRB2 (0.58) ADRB2CHRM3
SCHEMBL4131535 0.91 ADRB2 (0.53) ADRB2CHRM3ADRB1SLC6A2ADRA1D
SCHEMBL4131547 0.91 ADRB2 (0.53) ADRB2CHRM3ADRB1SLC6A2ADRA1D
SCHEMBL4135323 0.90 ADRB2 (0.52) ADRB2CHRM3ADRB1SLC6A2ADRA1D
SCHEMBL4135315 0.90 ADRB2 (0.52) ADRB2CHRM3ADRB1SLC6A2ADRA1D
SCHEMBL4134351 0.89 ADRB2 (0.51) ADRB2CHRM3ADRB1SLC6A2ADRA1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US claimed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 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 (1 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A ADRB2 1/4885CHRM3 13/4885ADRB1 2/4885

“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.