SCHEMBL4401541

SCHEMBL4401541

O=C(O)N(CCc1ccc(Br)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.45
ADRB1 P08588 12/20 0.45
ADRB2 P07550 1/20 0.42
SLC2A1 P11166 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41

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
SCHEMBL4401543 1.00 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1LPAR1
SCHEMBL4465914 0.89 GLI1 (0.47) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL4465920 0.89 GLI1 (0.47) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL6805613 0.88 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1LPAR1
SCHEMBL4460226 0.88 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1LPAR1
SCHEMBL6805619 0.88 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1LPAR1
SCHEMBL4460219 0.88 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1LPAR1
SCHEMBL4584835 0.86 MEN1 (0.48)
SCHEMBL4584829 0.86 MEN1 (0.48)
SCHEMBL4478737 0.86 ADRB3 (0.51) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791811-B1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-12-23 EP disclosed
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20080039506-A1 Aminoalcohol Derivatives ASTELLAS PHARMA INC. (JP) 2008-02-14 US disclosed
EP-1791811-A1 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2007-06-06 EP 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
WO-2006033446-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-03-30 WO 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 (3 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 ADRB3 130/4885ADRB1 39/4885ADRB2 40/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB3 568/4885ADRB1 256/4885ADRB2 123/4885
US-20080039506-A1 Aminoalcohol Derivatives HRH4, HRH2, CBR3 ADRB3 40/4885ADRB1 19/4885ADRB2 10/4885

“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.