SCHEMBL4584631

SCHEMBL4584631

O=C(Cc1ccc(Br)cc1)NC[C@H](O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.54
ADRB3 P13945 5/20 0.54
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
ADRB2 P07550 4/20 0.52
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
EPHX2 P34913 1/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
ROS1 P08922 1/20 0.45
RPS6KB1 P23443 1/20 0.45
KCNA5 P22460 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
SCHEMBL4584636 1.00 ADRB1 (0.54) ADRB1ADRB3OPRM1OPRD1ADRB2
SCHEMBL27668001 0.88 ADRB3 (0.55) ADRB1ADRB3ADRB2KCNA5
SCHEMBL4584528 0.88 ADRB3 (0.55) ADRB1ADRB3ADRB2KCNA5
SCHEMBL4584521 0.88 ADRB3 (0.55) ADRB1ADRB3ADRB2KCNA5
SCHEMBL8559634 0.88 ADRB3 (0.54) ADRB1ADRB3ADRB2EPHX2GAA
SCHEMBL8560298 0.83 ALDH1A1 (0.61) ADRB1ADRB3OPRM1OPRD1EPHX2
SCHEMBL8560709 0.83 ALDH1A1 (0.61) ADRB1ADRB3OPRM1OPRD1EPHX2
SCHEMBL26177168 0.82 ADRB3 (0.52) ADRB1ADRB3ADRB2EPHX2
SCHEMBL5703832 0.80 ADRB3 (0.52) ADRB1ADRB3ADRB2LMNA
SCHEMBL26177231 0.79 ADRB3 (0.46) ADRB1ADRB3ADRB2EPHX2

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 6 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
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 ADRB1 70/4885ADRB3 86/4885OPRM1 432/4885

“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.