SCHEMBL6479640

SCHEMBL6479640

NC(=O)c1cc(Oc2ccc(C[C@@H](CO)NC[C@H](O)COc3cccc(Cl)c3)cc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.48
ADRB1 P08588 10/20 0.48
CASR P41180 1/20 0.41
P2RX3 P56373 4/20 0.41
ADRB2 P07550 1/20 0.40
SLC2A1 P11166 1/20 0.40
GRM5 P41594 1/20 0.39
RAF1 P04049 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
SCHEMBL6488677 0.91 ADRB1 (0.59) ADRB3ADRB1P2RX3ADRB2
SCHEMBL6488687 0.91 ADRB1 (0.59) ADRB3ADRB1P2RX3ADRB2
Hydrochloric Acid SCHEMBL6489617 0.86 ADRB3 (0.47) ADRB3ADRB1CASRP2RX3
Hydrochloric Acid SCHEMBL6492436 0.85 ADRB3 (0.47) ADRB3ADRB1CASRP2RX3ADRB2
Hydrochloric Acid SCHEMBL6479347 0.82 ADRB3 (0.48) ADRB3ADRB1ADRB2
SCHEMBL6479638 0.79 ADRB3 (0.49) ADRB3ADRB1CASR
SCHEMBL7689127 0.79 ADRB3 (0.47) ADRB3ADRB1CASRADRB2
Hydrochloric Acid SCHEMBL6479235 0.78 ADRB1 (0.46) ADRB3ADRB1CASR
SCHEMBL6489743 0.78 ADRB3 (0.46) ADRB3ADRB1CASRSLC2A1
SCHEMBL6486794 0.77 ADRB1 (0.46) ADRB3ADRB1CASR

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 1/4885CASR 1910/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885CASR 1137/4885

“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.