SCHEMBL6134937

SCHEMBL6134937

COC(=O)c1ccc(-c2ccc3c(c2)C[C@@H](N)CC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
ACHE P22303 2/20 0.50
ADRB3 P13945 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
EGFR P00533 1/20 0.43
ERN1 O75460 1/20 0.43
OPRK1 P41145 1/20 0.42

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
SCHEMBL10247342 0.89 DRD2 (0.57) DRD2DRD3ACHEOPRK1
SCHEMBL355227 0.89 DRD2 (0.57) DRD2DRD3ACHEOPRK1
SCHEMBL10247424 0.89 DRD2 (0.57) DRD2DRD3ACHEOPRK1
Hydrochloric Acid SCHEMBL354608 0.88 DRD2 (0.56) DRD2DRD3ACHEOPRK1
Hydrochloric Acid SCHEMBL354592 0.88 DRD2 (0.56) DRD2DRD3ACHEOPRK1
Hydrochloric Acid SCHEMBL353594 0.88 DRD2 (0.56) DRD2DRD3ACHEOPRK1
SCHEMBL353908 0.83 OPRK1 (0.54) DRD2DRD3OPRK1
Hydrochloric Acid SCHEMBL353391 0.82 OPRK1 (0.53) DRD2DRD3OPRK1
SCHEMBL24650415 0.77 KDM4E (0.47) CA12CA1CA2CA9CA14
SCHEMBL4637133 0.77 KDM4E (0.47) CA12CA1CA2CA9CA14

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 DRD2 130/4885DRD3 113/4885ACHE 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.