SCHEMBL6480869

SCHEMBL6480869

CC(C)(C)OC(=O)N(C[C@H](O)COc1ccccc1)[C@H](CO)Cc1ccc(Oc2ncccc2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
ADRB3 P13945 5/20 0.36
ADRB1 P08588 4/20 0.35
ALDH1A1 P00352 2/20 0.34
ABCB1 P08183 3/20 0.34
LMNA P02545 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CASR P41180 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL6480871 1.00 BACE1 (0.40) BACE1ADRB3ADRB1ALDH1A1ABCB1
SCHEMBL6478954 0.91 KMT2A (0.41) BACE1ADRB3ADRB1ALDH1A1ABCB1
SCHEMBL6479079 0.91 RAB9A (0.41) BACE1ALDH1A1
SCHEMBL6480769 0.91 RAB9A (0.41) BACE1ALDH1A1
SCHEMBL6491686 0.88 PTPN1 (0.40) BACE1ADRB3ADRB1ALDH1A1CYP2D6
SCHEMBL6488382 0.88 MEN1 (0.47) BACE1ADRB3ADRB1ALDH1A1LMNA
SCHEMBL6488383 0.88 MEN1 (0.47) BACE1ADRB3ADRB1ALDH1A1LMNA
SCHEMBL6538543 0.85 BACE1 (0.43) BACE1ADRB3ADRB1ABCB1CYP2D6
SCHEMBL6540224 0.85 BACE1 (0.43) BACE1ADRB3ADRB1ABCB1CYP2D6
SCHEMBL6539067 0.80 ADRB1 (0.49) BACE1ADRB3ADRB1

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 BACE1 2044/4885ADRB3 3/4885ADRB1 1/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 BACE1 1612/4885ADRB3 3/4885ADRB1 2/4885

“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.