SCHEMBL4585340

SCHEMBL4585340

O[C@@H](CNCCCc1ccc(Br)cc1)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.66
ADRB1 P08588 11/20 0.66
ADRB2 P07550 10/20 0.66

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
SCHEMBL27647623 1.00 ADRB3 (0.66) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4582623 0.91 ADRB3 (0.73) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4471319 0.81 ADRB3 (0.66) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4471313 0.81 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL9830900 0.81 ADRB1 (0.67) ADRB3ADRB1ADRB2
SCHEMBL7121360 0.80 ADRB1 (0.66) ADRB3ADRB1ADRB2
SCHEMBL7124327 0.80 ADRB1 (0.66) ADRB3ADRB1ADRB2
SCHEMBL20819407 0.79 ADRB1 (0.55) ADRB3ADRB1ADRB2
SCHEMBL5703841 0.78 CHRNA7 (0.57) ADRB3ADRB1ADRB2
SCHEMBL11746227 0.78 ADRB1 (0.54) ADRB3ADRB1ADRB2

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
CN-100582088-C Aminoalcohol derivatives ASTELLAS PHARMA INC 2010-01-20 CN disclosed
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
CN-1906154-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2007-01-31 CN disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 ADRB3 86/4885ADRB1 70/4885ADRB2 58/4885

“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.