SCHEMBL4467623

SCHEMBL4467623

COC(=O)c1ccc(-c2ccc(C[C@@H](C)N(C[C@H](O)c3ccc(Cl)nc3)C(=O)OC(C)(C)C)cc2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.36
GRM2 Q14416 3/20 0.35
BACE1 P56817 5/20 0.35
PPARG P37231 1/20 0.34
HCAR2 Q8TDS4 1/20 0.32
HCRTR2 O43614 1/20 0.32
BDKRB1 P46663 1/20 0.32
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.30
ATR Q13535 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL4467625 1.00 BRS3 (0.36) BRS3GRM2BACE1PPARGHCAR2
SCHEMBL4471254 0.92 PPARG (0.37) BRS3GRM2BACE1PPARG
SCHEMBL6243585 0.92 PPARG (0.37) BRS3GRM2BACE1PPARG
SCHEMBL4472896 0.88 BACE1 (0.34) BRS3GRM2BACE1PPARGLMNA
SCHEMBL4472899 0.88 BACE1 (0.34) BRS3GRM2BACE1PPARGLMNA
SCHEMBL4456304 0.81 ADRB1 (0.42) GRM2BACE1PPARGLMNA
SCHEMBL6242656 0.79 ADRB1 (0.39) BRS3GRM2BACE1PPARGLMNA
SCHEMBL6242655 0.77 ADRB1 (0.38) BACE1PPARGLMNA
SCHEMBL5669233 0.68 ADRB3 (0.46)
SCHEMBL4472445 0.68 ADRB3 (0.46)

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 BRS3 1080/4885GRM2 1012/4885BACE1 3315/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 BRS3 706/4885GRM2 1565/4885BACE1 3808/4885

“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.