SCHEMBL4459885

SCHEMBL4459885

COC(=O)c1ccc2c(c1)COc1cc(CCNC(=O)OC(C)(C)C)ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.48
NAMPT P43490 1/20 0.43

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
SCHEMBL4469820 0.81 ROCK2 (0.51) ROCK2
SCHEMBL38659331 0.79 ROCK2 (0.55) ROCK2
SCHEMBL25176751 0.78 NQO2 (0.47) NAMPT
SCHEMBL30369597 0.78 NQO2 (0.47) NAMPT
SCHEMBL1936202 0.77 MGLL (0.55) NAMPT
SCHEMBL2996602 0.75 CYP4F2 (0.59) NAMPT
SCHEMBL31539425 0.75 CYP4F2 (0.59) NAMPT
SCHEMBL30627676 0.74 MAPT (0.57)
SCHEMBL28496847 0.74 SMN1; SMN2 (0.56)
SCHEMBL4465651 0.74 MGLL (0.51) NAMPT

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 ROCK2 3982/4885NAMPT 3636/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ROCK2 2861/4885NAMPT 4739/4885

“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.