SCHEMBL4396505

SCHEMBL4396505

O=C(O)N(CCNc1ccc(I)cc1)C[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 17/20 0.45
ADRB3 P13945 17/20 0.45
ADRB2 P07550 13/20 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
SCHEMBL4396503 1.00 ADRB1 (0.45) ADRB1ADRB3ADRB2
SCHEMBL1622718 0.85 BACE1 (0.43) ADRB1ADRB3ADRB2
SCHEMBL6805619 0.83 ADRB3 (0.45) ADRB1ADRB3ADRB2
SCHEMBL6805613 0.83 ADRB3 (0.45) ADRB1ADRB3ADRB2
SCHEMBL4585166 0.80 MEN1 (0.50) ADRB1ADRB3ADRB2
SCHEMBL4585162 0.80 MEN1 (0.50) ADRB1ADRB3ADRB2
SCHEMBL1622719 0.80 ADRB3 (0.41) ADRB1ADRB3ADRB2
SCHEMBL4469616 0.76 ADRB3 (0.49) ADRB1ADRB3ADRB2
SCHEMBL5669438 0.76 ADRB3 (0.49) ADRB1ADRB3ADRB2
SCHEMBL4465920 0.73 GLI1 (0.47) ADRB1ADRB3ADRB2

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
EP-1791811-B1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-12-23 EP disclosed
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20080039506-A1 Aminoalcohol Derivatives ASTELLAS PHARMA INC. (JP) 2008-02-14 US 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 (2 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 ADRB1 70/4885ADRB3 86/4885ADRB2 58/4885
US-20080039506-A1 Aminoalcohol Derivatives HRH4, HRH2, CBR3 ADRB1 19/4885ADRB3 40/4885ADRB2 10/4885

“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.