SCHEMBL6133955

SCHEMBL6133955

CCOC(=O)c1ccc(-c2ccc3c(c2)C[C@@H](NC(=O)OCc2ccccc2)CC3)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.53
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ACHE P22303 2/20 0.49
ADRB3 P13945 3/20 0.46
ADRB1 P08588 2/20 0.46
TAOK1 Q7L7X3 2/20 0.42
TAOK3 Q9H2K8 1/20 0.42
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TLR4 O00206 1/20 0.40
ROCK2 O75116 1/20 0.40
TSHR P16473 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
SENP8 Q96LD8 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
SCHEMBL6135268 0.83 CA1 (0.58) HDAC8CA1CA2ACHEADRB3
SCHEMBL6133679 0.81 CA1 (0.59) HDAC8CA1CA2ACHEADRB3
SCHEMBL6134120 0.78 NPC1 (0.46) ACHEADRB3ADRB1NPC1CASP3
SCHEMBL8767895 0.76 CA1 (0.55) HDAC8CA1CA2ACHEADRB3
SCHEMBL8767884 0.76 CA1 (0.55) HDAC8CA1CA2ACHEADRB3
SCHEMBL7591612 0.76 CA1 (0.63) HDAC8CA1CA2ACHEEPHX1
SCHEMBL5677446 0.76 CA1 (0.63) HDAC8CA1CA2ACHEEPHX1
SCHEMBL6134374 0.75 ADRB3 (0.80) ADRB3ADRB1
SCHEMBL6134376 0.75 ADRB3 (0.80) ADRB3ADRB1
SCHEMBL9490334 0.74 CA1 (0.73) HDAC8CA1CA2ACHETAOK1

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 HDAC8 2154/4885CA1 3986/4885CA2 1240/4885

“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.