SCHEMBL6328696

SCHEMBL6328696

COc1ccc(-c2nc(-c3ccc(OCCNC[C@H](O)c4ccc(Cl)nc4)cc3)cs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.65
ADRB1 P08588 13/20 0.65
ADRB2 P07550 7/20 0.64
ATP4A P20648 2/20 0.48
ATP4B P51164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44

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
SCHEMBL6326245 0.93 ADRB3 (0.65) ADRB3ADRB1ADRB2ATP4AATP4B
SCHEMBL6326745 0.93 ADRB3 (0.65) ADRB3ADRB1ADRB2ATP4AATP4B
SCHEMBL6331091 0.92 ADRB3 (0.77) ADRB3ADRB1ADRB2
SCHEMBL6333552 0.92 ADRB3 (0.76) ADRB3ADRB1ADRB2ATP4AATP4B
SCHEMBL6327671 0.92 ADRB3 (0.76) ADRB3ADRB1ADRB2ATP4AATP4B
SCHEMBL6330751 0.91 ADRB3 (0.75) ADRB3ADRB1ADRB2ATP4AATP4B
SCHEMBL6329497 0.89 ADRB3 (0.65) ADRB3ADRB1ADRB2ATP4AATP4B
SCHEMBL6327667 0.89 ADRB3 (0.68) ADRB3ADRB1ADRB2
SCHEMBL6336046 0.87 ADRB3 (0.73) ADRB3ADRB1ADRB2ATP4AATP4B
SCHEMBL6331125 0.87 ADRB3 (0.57) ADRB3ADRB1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC 2005-04-07 US disclosed
US-6706743-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC 2004-03-16 US disclosed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 US disclosed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 EP disclosed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 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-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885ADRB2 3/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885ADRB2 3/4885

“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.