SCHEMBL6321005

SCHEMBL6321005

COC(=O)C[C@H](NC[C@H](O)COc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.58
ADRB1 P08588 2/20 0.58
CYP2D6 P10635 2/20 0.58
ADRB3 P13945 1/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
DPP4 P27487 1/20 0.49

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
SCHEMBL6321001 1.00 ADRB2 (0.58) ADRB2ADRB1CYP2D6ADRB3MAPT
SCHEMBL6320890 0.87 ADRB3 (0.50) ADRB2ADRB1CYP2D6ADRB3MAPT
SCHEMBL6321893 0.84 ADRB2 (0.65) ADRB2ADRB1CYP2D6ADRB3KMT2A
SCHEMBL6321887 0.84 ADRB2 (0.65) ADRB2ADRB1CYP2D6ADRB3KMT2A
SCHEMBL3673164 0.82 CYP2D6 (0.55) ADRB2ADRB1CYP2D6ADRB3MAPT
SCHEMBL3673166 0.82 CYP2D6 (0.55) ADRB2ADRB1CYP2D6ADRB3MAPT
SCHEMBL8605105 0.79 ADRB1 (0.60) ADRB2ADRB1CYP2D6ADRB3MAPT
SCHEMBL20049938 0.76 CYP2D6 (0.69) ADRB2ADRB1CYP2D6ADRB3MAPT
SCHEMBL13802626 0.76 KCNA5 (0.47) KMT2AMEN1ALDH1A1
SCHEMBL10365832 0.76 ADRB2 (0.60) ADRB2ADRB1CYP2D6ADRB3KMT2A

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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB2 3/4885ADRB1 1/4885CYP2D6 1963/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ADRB2 3/4885ADRB1 1/4885CYP2D6 2025/4885

“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.