SCHEMBL4584528

SCHEMBL4584528

O=C(CCc1ccc(Br)cc1)NC[C@@H](O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.55
ADRB1 P08588 11/20 0.55
ADRB2 P07550 8/20 0.55
KCNA5 P22460 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4584521 1.00 ADRB3 (0.55) ADRB3ADRB1ADRB2KCNA5CYP1A2
SCHEMBL27668001 1.00 ADRB3 (0.55) ADRB3ADRB1ADRB2KCNA5CYP1A2
SCHEMBL4584631 0.88 ADRB1 (0.54) ADRB3ADRB1ADRB2KCNA5
SCHEMBL4584636 0.88 ADRB1 (0.54) ADRB3ADRB1ADRB2KCNA5
SCHEMBL5703832 0.83 ADRB3 (0.52) ADRB3ADRB1ADRB2SMN1; SMN2
SCHEMBL5703841 0.81 CHRNA7 (0.57) ADRB3ADRB1ADRB2SMN1; SMN2
Hydrochloric Acid SCHEMBL4582623 0.79 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL4585340 0.78 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL27647623 0.78 ADRB3 (0.66) ADRB3ADRB1ADRB2
SCHEMBL8559634 0.76 ADRB3 (0.54) ADRB3ADRB1ADRB2CYP1A2CYP3A4

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
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO 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.