SCHEMBL1627007

SCHEMBL1627007

O=C(NS(=O)(=O)CCCO)c1ccc(-c2ccc(CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C(=O)O)cc2)cc1C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.47
ADRB1 P08588 9/20 0.36

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
SCHEMBL1627006 1.00 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL1622688 0.97 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL1622693 0.97 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL1622077 0.91 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL1622075 0.91 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL1623286 0.90 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL1623290 0.90 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL1622547 0.90 ADRB3 (0.40) ADRB3ADRB1
SCHEMBL1622548 0.90 ADRB3 (0.40) ADRB3ADRB1
SCHEMBL1621787 0.89 ADRB3 (0.50) ADRB3ADRB1

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-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed
US-20080039506-A1 Aminoalcohol Derivatives ASTELLAS PHARMA INC. (JP) 2008-02-14 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-20080039506-A1 Aminoalcohol Derivatives HRH4, HRH2, CBR3 ADRB3 40/4885ADRB1 19/4885

“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.