SCHEMBL4558402

SCHEMBL4558402

O=C(O)N(CCc1ccc(O)cc1)C[C@H](O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 6/20 0.47
ADRB3 P13945 10/20 0.43
ADRB1 P08588 10/20 0.43
ADRB2 P07550 7/20 0.42
CYP17A1 P05093 1/20 0.42
GLI1 P08151 1/20 0.42
GLI2 P10070 1/20 0.42

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
SCHEMBL4558403 1.00 CYP51A1 (0.47) CYP51A1ADRB3ADRB1ADRB2CYP17A1
SCHEMBL4584050 0.89 ADRB3 (0.47) CYP51A1ADRB3ADRB1ADRB2
SCHEMBL4584053 0.89 ADRB3 (0.47) CYP51A1ADRB3ADRB1ADRB2
SCHEMBL4479042 0.86 GLI1 (0.50) GLI1GLI2
SCHEMBL4479037 0.86 GLI1 (0.50) GLI1GLI2
SCHEMBL4584190 0.84 ADRB3 (0.46) CYP51A1ADRB3ADRB1ADRB2
SCHEMBL4584186 0.84 ADRB3 (0.46) CYP51A1ADRB3ADRB1ADRB2
SCHEMBL4464277 0.81 GLI1 (0.38) CYP51A1ADRB3ADRB1GLI1GLI2
SCHEMBL4464282 0.81 GLI1 (0.38) CYP51A1ADRB3ADRB1GLI1GLI2
SCHEMBL4478536 0.80 FFAR1 (0.38) CYP51A1ADRB3ADRB1GLI1GLI2

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 CYP51A1 1727/4885ADRB3 130/4885ADRB1 39/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 CYP51A1 1390/4885ADRB3 568/4885ADRB1 256/4885

“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.