SCHEMBL4463453

SCHEMBL4463453

O=C(O)N(CCCc1cccc(O)c1)C[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.41
OPRK1 P41145 9/20 0.40
OPRM1 P35372 8/20 0.40
OPRD1 P41143 8/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
ADRB1 P08588 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KYNU Q16719 1/20 0.39

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
SCHEMBL4463448 1.00 ADRB3 (0.41) ADRB3OPRK1OPRM1OPRD1DRD2
SCHEMBL4463304 0.90 ADRB3 (0.45) ADRB3ADRB1
SCHEMBL4463297 0.90 ADRB3 (0.45) ADRB3ADRB1
SCHEMBL6805168 0.85 ADRB3 (0.40) ADRB3ADRB1
SCHEMBL6805164 0.85 ADRB3 (0.40) ADRB3ADRB1
SCHEMBL4465920 0.84 GLI1 (0.47) ADRB3ADRB1
SCHEMBL4465914 0.84 GLI1 (0.47) ADRB3ADRB1
SCHEMBL4473906 0.83 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL4473908 0.83 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL4472391 0.81 ADRB3 (0.47) 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 6 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
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 US disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO 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 ADRB3 130/4885OPRK1 492/4885OPRM1 396/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB3 568/4885OPRK1 895/4885OPRM1 515/4885

“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.