SCHEMBL6326703

SCHEMBL6326703

CCc1nc(-c2ccc(OCCN)cc2)co1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.51
ADRB3 P13945 3/20 0.51
ADRB2 P07550 2/20 0.51
S1PR1 P21453 8/20 0.47
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
S1PR3 Q99500 6/20 0.43
ENPP3 O14638 2/20 0.42
ENPP1 P22413 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 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
SCHEMBL6326255 0.86 ADRB1 (0.53) ADRB1ADRB3ADRB2S1PR1ENPP3
SCHEMBL6327924 0.86 ADRB1 (0.52) ADRB1ADRB3ADRB2S1PR1S1PR3
SCHEMBL6326200 0.82 ENPP3 (0.60) ADRB1ADRB3ADRB2S1PR1S1PR3
SCHEMBL6492917 0.80 ADRB1 (0.39) ADRB1ADRB3ADRB2S1PR1S1PR3
SCHEMBL6328911 0.79 ADRB1 (0.53) ADRB1ADRB3ADRB2ENPP3ENPP1
SCHEMBL6330452 0.78 ADRB1 (0.57) ADRB1ADRB3ENPP3ENPP1CYP19A1
SCHEMBL2056287 0.75 TP53 (0.49) ADRB1ADRB3ADRB2S1PR1S1PR3
SCHEMBL6491146 0.75 ALDH1A1 (0.44) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL6492226 0.75 ALDH1A1 (0.42) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL9198367 0.73 S1PR1 (0.55) ADRB1ADRB3ADRB2S1PR1S1PR3

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 8 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
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US 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
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 1/4885ADRB2 3/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 ADRB1 2/4885ADRB3 1/4885ADRB2 3/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 ADRB1 3/4885ADRB3 1/4885ADRB2 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.