SCHEMBL6995854

SCHEMBL6995854

Cc1nc(-c2ccc(CCNCC(O)c3cccnc3)cc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 1.00
ADRB1 P08588 12/20 0.74
ADRB2 P07550 10/20 0.74
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
SLC6A4 P31645 1/20 0.58
KCNH2 Q12809 1/20 0.58
CACNA1C Q13936 1/20 0.58

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
SCHEMBL6337954 1.00 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL6327171 0.88 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL27578504 0.88 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL6795189 0.87 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL27575438 0.87 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL6338035 0.87 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL6329765 0.87 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL27593712 0.87 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL27575434 0.87 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL6326729 0.85 ADRB3 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1469876-A Alpha-aryl ethanolamines and their use as beta-3 adrenergic receptor agonists �Ʒ� 2004-01-21 CN 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-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 (1 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-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.