SCHEMBL4584053

SCHEMBL4584053

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.47
ADRB1 P08588 9/20 0.47
ADRB2 P07550 6/20 0.47
CYP51A1 Q16850 6/20 0.46
KCNA5 P22460 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL4584050 1.00 ADRB3 (0.47) ADRB3ADRB1ADRB2CYP51A1KCNA5
SCHEMBL4584190 0.94 ADRB3 (0.46) ADRB3ADRB1ADRB2CYP51A1KCNA5
SCHEMBL4584186 0.94 ADRB3 (0.46) ADRB3ADRB1ADRB2CYP51A1KCNA5
SCHEMBL4558402 0.89 CYP51A1 (0.47) ADRB3ADRB1ADRB2CYP51A1
SCHEMBL4558403 0.89 CYP51A1 (0.47) ADRB3ADRB1ADRB2CYP51A1
SCHEMBL4584835 0.86 MEN1 (0.48) HDAC1HDAC6
SCHEMBL4584829 0.86 MEN1 (0.48) HDAC1HDAC6
SCHEMBL1622683 0.84 CYP51A1 (0.46) ADRB3ADRB1ADRB2CYP51A1KCNA5
SCHEMBL4583968 0.80 MEN1 (0.47) HDAC3
SCHEMBL4583973 0.80 MEN1 (0.47) HDAC3

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 5 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
US-20080039506-A1 Aminoalcohol Derivatives ASTELLAS PHARMA INC. (JP) 2008-02-14 US disclosed
EP-1791811-A1 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006033446-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-03-30 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 (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 ADRB3 86/4885ADRB1 70/4885ADRB2 58/4885
US-20080039506-A1 Aminoalcohol Derivatives HRH4, HRH2, CBR3 ADRB3 40/4885ADRB1 19/4885ADRB2 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.