SCHEMBL4460136

SCHEMBL4460136

CC(C)(C)OC(=O)N(CCCc1ccc(-c2ccc(C(=O)O)cc2)cc1)C[C@H](O)c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.42
ADRB3 P13945 4/20 0.42
RARB P10826 7/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RARA P10276 1/20 0.37
MAPT P10636 1/20 0.37
MTOR P42345 1/20 0.37
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
BCL2 P10415 1/20 0.34
BACE1 P56817 2/20 0.34
MPL P40238 1/20 0.33

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
SCHEMBL4468034 0.89 ADRB3 (0.46) ADRB1ADRB3
SCHEMBL4460048 0.86 ADRB3 (0.44) ADRB1ADRB3RARBBACE1
SCHEMBL4479769 0.85 ADRB3 (0.52) ADRB1ADRB3RARB
SCHEMBL4478505 0.84 ADRB3 (0.47) ADRB1ADRB3
SCHEMBL6237642 0.83 ADRB3 (0.38) ADRB3MEN1KMT2AALDH1A1NPC1
SCHEMBL4466360 0.83 ADRB3 (0.55) ADRB1ADRB3
SCHEMBL4456304 0.82 ADRB1 (0.42) ADRB1ADRB3RARBLMNANAPRT
SCHEMBL4458979 0.81 ADRB1 (0.38) ADRB1ADRB3MAPT
SCHEMBL12609851 0.81 SSTR4 (0.43) ADRB1ADRB3KMT2AALDH1A1SMN1; SMN2
SCHEMBL4468286 0.80 ADRB3 (0.41) ADRB1ADRB3RARBMEN1KMT2A

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 ADRB1 39/4885ADRB3 130/4885RARB 2854/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB1 256/4885ADRB3 568/4885RARB 2924/4885

“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.