SCHEMBL6133542

SCHEMBL6133542

COC(=O)c1cc(Oc2ccc3c(c2)C[C@@H](NC(=O)OCc2ccccc2)CC3)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
ACHE P22303 3/20 0.50
HDAC8 Q9BY41 1/20 0.44
CCR2 P41597 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ADRB3 P13945 5/20 0.41
RORC P51449 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
TLR4 O00206 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38
DRD4 P21917 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL6134880 0.86 CA1 (0.54) CA1CA2ACHEHDAC8MTNR1A
SCHEMBL6134040 0.83 CA1 (0.51) CA1CA2ACHEHDAC8MTNR1A
SCHEMBL6134658 0.75 DRD2 (0.57) CA1CA2ACHEHDAC8MTNR1A
SCHEMBL6134662 0.75 DRD2 (0.57) CA1CA2ACHEHDAC8MTNR1A
SCHEMBL6133679 0.75 CA1 (0.59) CA1CA2ACHEHDAC8ADRB3
SCHEMBL7591612 0.74 CA1 (0.63) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL5677446 0.74 CA1 (0.63) CA1CA2ACHEHDAC8ALDH1A1
SCHEMBL7405121 0.74 CA1 (0.49) CA1CA2ACHEHDAC8RORC
SCHEMBL7400180 0.74 MGLL (0.50) ALDH1A1MAPTTSHR
SCHEMBL8767884 0.73 CA1 (0.55) CA1CA2ACHEHDAC8MTNR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US disclosed
EP-1483236-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076397-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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 (1 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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 CA1 3986/4885CA2 1240/4885ACHE 511/4885

“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.