SCHEMBL4464398

SCHEMBL4464398

O[C@@H](CNCCCc1ccc(I)cc1)c1ccc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.44
ADRB1 P08588 12/20 0.44
ADRB3 P13945 9/20 0.44

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
SCHEMBL4468201 0.78 ADRB3 (0.46) ADRB2ADRB1ADRB3
SCHEMBL12609785 0.77 CYP3A4 (0.40) ADRB2ADRB1ADRB3
SCHEMBL12609784 0.77 CYP3A4 (0.40) ADRB2ADRB1ADRB3
SCHEMBL6242485 0.77 SIGMAR1 (0.39) ADRB2ADRB1ADRB3
SCHEMBL4479057 0.74 FFAR1 (0.36) ADRB1ADRB3
SCHEMBL4479061 0.74 FFAR1 (0.36) ADRB1ADRB3
SCHEMBL8789010 0.74 ADRB2 (0.64) ADRB2ADRB1ADRB3
SCHEMBL4468433 0.73 ADRB3 (0.52) ADRB2ADRB1ADRB3
SCHEMBL4467009 0.73 ADRB3 (0.52) ADRB2ADRB1ADRB3
SCHEMBL11468342 0.71 ADRB2 (0.59) ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 ADRB2 40/4885ADRB1 39/4885ADRB3 130/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB2 123/4885ADRB1 256/4885ADRB3 568/4885

“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.