SCHEMBL6479255

SCHEMBL6479255

OC[C@H](Cc1ccc(Oc2ccnc3ccccc23)cc1)NC[C@H](O)COc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.56
ADRB1 P08588 13/20 0.56
ADRB2 P07550 2/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
CASR P41180 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6479253 1.00 ADRB3 (0.56) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL6489526 0.91 ADRB1 (0.49) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL6489528 0.91 ADRB1 (0.49) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL7692661 0.91 MEN1 (0.47) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL6531335 0.90 ADRB3 (0.52) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL6531342 0.90 ADRB3 (0.52) ADRB3ADRB1ADRB2CYP2D6MEN1
SCHEMBL6532071 0.89 ADRB3 (0.59) ADRB3ADRB1CYP2D6KMT2ACASR
SCHEMBL7687852 0.89 ADRB3 (0.59) ADRB3ADRB1ADRB2KMT2ACASR
SCHEMBL6533443 0.89 ADRB3 (0.52) ADRB3ADRB1ADRB2CYP2D6ALDH1A1
SCHEMBL6533448 0.89 ADRB3 (0.52) ADRB3ADRB1ADRB2CYP2D6ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 ADRB3 3/4885ADRB1 1/4885ADRB2 2/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885ADRB2 1/4885

“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.