SCHEMBL4456601

SCHEMBL4456601

COC(=O)c1ccc(-c2ccc(CCN(C[C@H](O)c3cncc(Cl)c3)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.37
CYP4F2 P78329 1/20 0.36
ADRB3 P13945 7/20 0.36
ADRB1 P08588 6/20 0.36
ALPL P05186 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
BACE1 P56817 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL4468286 0.91 ADRB3 (0.41) ADRB3ADRB1MAPT
SCHEMBL4475758 0.88 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL27635152 0.86 CYP51A1 (0.37) ADRB3BACE1
SCHEMBL4473928 0.83 ADRB3 (0.48) ADRB3ADRB1
SCHEMBL4464549 0.83 CYP51A1 (0.44) ADRB3ADRB1
SCHEMBL6805217 0.83 ADRB3 (0.45) ADRB3ADRB1
SCHEMBL4469696 0.82 ADRB3 (0.45) ADRB3ADRB1BACE1
SCHEMBL1622126 0.82 ADRB3 (0.43) ADRB3ADRB1BACE1
SCHEMBL1622127 0.82 ADRB3 (0.43) ADRB3ADRB1BACE1
SCHEMBL4478428 0.81 ADRB3 (0.54) ADRB3ADRB1BACE1

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 CYP4A11 3361/4885CYP4F2 3823/4885ADRB3 130/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 CYP4A11 4628/4885CYP4F2 4049/4885ADRB3 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.