SCHEMBL6133872

SCHEMBL6133872

CC(C)(C)OC(=O)N(C[C@@H](O)c1ccc(Cl)cc1)[C@H]1CCc2ccc(O)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.46
DRD3 P35462 9/20 0.46
DRD4 P21917 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2D6 P10635 2/20 0.46
HTR1A P08908 1/20 0.46
ADRB2 P07550 1/20 0.46
CASP1 P29466 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRB3 P13945 6/20 0.40
ADRB1 P08588 4/20 0.40
PRMT5 O14744 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
SCHEMBL6133868 1.00 DRD2 (0.46) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL9318252 0.90 ADRB3 (0.43) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL9436806 0.90 ADRB3 (0.43) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6133817 0.90 ADRB3 (0.43) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6133819 0.90 ADRB3 (0.43) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6135470 0.86 ADRB3 (0.45) ADRB3ADRB1PRMT5
SCHEMBL6134383 0.86 ADRB3 (0.52) ADRB3ADRB1
SCHEMBL6133528 0.86 DRD2 (0.42) DRD2DRD3DRD4ADRB3ADRB1
SCHEMBL6133526 0.86 DRD2 (0.42) DRD2DRD3DRD4ADRB3ADRB1
SCHEMBL6135475 0.86 ADRB3 (0.45) ADRB3ADRB1PRMT5

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 1 patent. 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

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 DRD2 130/4885DRD3 113/4885DRD4 797/4885

“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.