SCHEMBL4144835

SCHEMBL4144835

O=c1cc([C@@H](O)CNC2CCN(CCCOCCc3ccccc3)CC2)c2cccc(O)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.44
CHRM3 P20309 8/20 0.44
ADRB1 P08588 6/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL4131308 0.98 ADRB2 (0.45) ADRB2CHRM3ADRB1DRD2
SCHEMBL4139870 0.90 ADRB2 (0.57) ADRB2CHRM3ADRB1
SCHEMBL4132536 0.87 ADRB2 (0.58) ADRB2CHRM3ADRB1
SCHEMBL3958110 0.78 ADRB2 (0.70) ADRB2ADRB1DRD2
SCHEMBL4135992 0.78 ADRB2 (0.70) ADRB2ADRB1DRD2
SCHEMBL4134389 0.77 ADRB2 (0.59) ADRB2CHRM3ADRB1
SCHEMBL4134385 0.77 ADRB2 (0.59) ADRB2CHRM3ADRB1
SCHEMBL4143547 0.77 ADRB2 (0.62) ADRB2ADRB1
SCHEMBL4143553 0.77 ADRB2 (0.62) ADRB2ADRB1
SCHEMBL4135004 0.76 ADRB2 (0.56) ADRB2CHRM3ADRB1

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.