SCHEMBL6479638

SCHEMBL6479638

O=C(O)c1cccnc1Oc1ccc(C[C@@H](CO)NC[C@H](O)COc2cccc(Cl)c2)cc1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.49
ADRB1 P08588 9/20 0.49
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CASR P41180 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 2/20 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
SCHEMBL7689127 0.91 ADRB3 (0.47) ADRB3ADRB1ALDH1A1POLBGAA
SCHEMBL6489074 0.91 ADRB1 (0.60) ADRB3ADRB1ALDH1A1PDE10A
Hydrochloric Acid SCHEMBL6479235 0.90 ADRB1 (0.46) ADRB3ADRB1ALDH1A1POLBGAA
SCHEMBL6489743 0.90 ADRB3 (0.46) ADRB3ADRB1ALDH1A1POLBGAA
SCHEMBL6486794 0.89 ADRB1 (0.46) ADRB3ADRB1ALDH1A1POLBGAA
SCHEMBL6479099 0.86 ADRB3 (0.58) ADRB3ADRB1
SCHEMBL6479093 0.86 ADRB3 (0.58) ADRB3ADRB1
SCHEMBL6489063 0.82 ADRB1 (0.58) ADRB3ADRB1ALDH1A1PDE10A
Hydrochloric Acid SCHEMBL6492687 0.82 ADRB1 (0.58) ADRB3ADRB1ALDH1A1PDE10A
SCHEMBL6489069 0.82 ADRB1 (0.58) ADRB3ADRB1ALDH1A1PDE10A

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 1/4885ALDH1A1 275/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885ALDH1A1 578/4885

“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.