SCHEMBL6328251

SCHEMBL6328251

CC(=O)Nc1ccc(C(O)CNCCOc2ccc(-c3csc(C)n3)cc2)cn1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.68
ADRB1 P08588 17/20 0.68
ADRB2 P07550 8/20 0.68
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6792993 1.00 ADRB3 (0.68) ADRB3ADRB1ADRB2KDM4ENPC1
SCHEMBL6328477 0.85 ADRB3 (0.50) ADRB3ADRB1ADRB2KDM4ENPC1
SCHEMBL6328475 0.85 ADRB3 (0.50) ADRB3ADRB1ADRB2KDM4ENPC1
SCHEMBL6336046 0.84 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL6327143 0.84 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL6326729 0.81 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL6327667 0.81 ADRB3 (0.68) ADRB3ADRB1ADRB2
SCHEMBL6335377 0.77 ADRB3 (0.91) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL6136803 0.76 ALOX15 (0.53) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL6136815 0.76 ALOX15 (0.53) 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 7 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
US-6566377-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-05-20 US disclosed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US 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 (3 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
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 ADRB3 1/4885ADRB1 3/4885ADRB2 4/4885

“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.