SCHEMBL6330452

SCHEMBL6330452

NCCOc1ccc(-c2coc(COCc3ccccc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.57
ADRB3 P13945 2/20 0.57
ENPP3 O14638 1/20 0.53
ENPP1 P22413 1/20 0.53
LTA4H P09960 2/20 0.46
TAAR1 Q96RJ0 1/20 0.42
PLA2G2A P14555 1/20 0.41
XDH P47989 1/20 0.40
GHSR Q92847 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.39
CYP19A1 P11511 1/20 0.39
ESR2 Q92731 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL18581467 0.83 ADRB1 (0.49) ADRB1ADRB3ENPP3ENPP1
SCHEMBL6326255 0.81 ADRB1 (0.53) ADRB1ADRB3ENPP3ENPP1LTA4H
SCHEMBL2707290 0.80 ENPP3 (0.53) ADRB1ADRB3ENPP3ENPP1MEN1
SCHEMBL201354 0.80 DHODH (0.51) ADRB1ADRB3ENPP3ENPP1LTA4H
SCHEMBL6327924 0.78 ADRB1 (0.52) ADRB1ADRB3ENPP3ENPP1LTA4H
SCHEMBL6326703 0.78 ADRB1 (0.51) ADRB1ADRB3ENPP3ENPP1TAAR1
SCHEMBL6326200 0.72 ENPP3 (0.60) ADRB1ADRB3ENPP3ENPP1LTA4H
SCHEMBL9520916 0.71 ENPP3 (0.46) ADRB1ADRB3ENPP3ENPP1LTA4H
SCHEMBL11579595 0.71 LTA4H (0.72) LTA4HTAAR1PLA2G2ARAB9ASMN1; SMN2
SCHEMBL6492917 0.71 ADRB1 (0.39) ADRB1ADRB3ENPP3ENPP1MEN1

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 12 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 claimed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 US claimed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 EP claimed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US claimed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 WO claimed
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 ADRB1 2/4885ADRB3 1/4885ENPP3 1633/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 ADRB1 2/4885ADRB3 1/4885ENPP3 1438/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 ADRB1 3/4885ADRB3 1/4885ENPP3 836/4885

“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.