SCHEMBL4458979

SCHEMBL4458979

CCOC(=O)c1ccc(-c2ccc(CCCN(C[C@H](O)c3ccc(Cl)nc3)C(=O)OC(C)(C)C)cc2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
HTR4 Q13639 3/20 0.35
SCN9A Q15858 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
LPAR1 Q92633 3/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
GRM2 Q14416 1/20 0.34
HSD17B2 P37059 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
SCN5A Q14524 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 0.91 ADRB3 (0.46) ADRB1ADRB3SCN9ALPAR1GRM2
SCHEMBL4478505 0.88 ADRB3 (0.47) ADRB1ADRB3SCN9ALPAR1GRM2
SCHEMBL4472419 0.84 ADRB1 (0.52) ADRB1ADRB3TP53ROCK2ROCK1
SCHEMBL4460136 0.81 ADRB1 (0.42) ADRB1ADRB3MAPT
SCHEMBL6241438 0.81 ADRB1 (0.39) ADRB1ADRB3SCN9APDGFRBPDGFRA
SCHEMBL4460048 0.80 ADRB3 (0.44) ADRB1ADRB3GRM2
SCHEMBL4458991 0.80 ADRB1 (0.60) ADRB1ADRB3TP53MAPTROCK2
SCHEMBL4474494 0.79 ADRB3 (0.47) ADRB1ADRB3LPAR1ROCK2ROCK1
SCHEMBL4462333 0.76 ADRB3 (0.45) ADRB1ADRB3
SCHEMBL4463094 0.75 ADRB3 (0.47) ADRB1ADRB3ROCK2ROCK1

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 130/4885HTR4 655/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB1 256/4885ADRB3 568/4885HTR4 566/4885

“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.