SCHEMBL6326200

SCHEMBL6326200

Cc1nc(-c2ccc(OCCN)cc2)co1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.60
ENPP1 P22413 3/20 0.60
TP53 P04637 5/20 0.49
POLB P06746 2/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40

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
SCHEMBL19626581 0.83 ENPP3 (0.66) ENPP3ENPP1TP53POLBADRB2
SCHEMBL6326703 0.82 ADRB1 (0.51) ENPP3ENPP1ADRB2ADRB1ADRB3
SCHEMBL6328911 0.81 ADRB1 (0.53) ENPP3ENPP1ADRB2ADRB1ADRB3
SCHEMBL6326255 0.80 ADRB1 (0.53) ENPP3ENPP1ADRB2ADRB1ADRB3
SCHEMBL6327924 0.79 ADRB1 (0.52) ENPP3ENPP1ADRB2ADRB1ADRB3
SCHEMBL201523 0.77 ENPP3 (0.96) ENPP3ENPP1TP53POLBTHRB
SCHEMBL6328562 0.76 AOC3 (0.61) ENPP3ENPP1TP53MAPTS1PR1
SCHEMBL22918669 0.76 ENPP3 (0.62) ENPP3ENPP1TP53POLBTHRB
SCHEMBL6492917 0.74 ADRB1 (0.39) ENPP3ENPP1TP53POLBADRB2
SCHEMBL8117354 0.73 ENPP3 (0.69) ENPP3ENPP1TP53POLBTHRB

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 17 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-10711026-B2 Spinosyn derivatives as insecticides AGRIMETIS, LLC (US) 2020-07-14 US disclosed
EP-3344610-B1 SPINOSYN DERIVATIVES AS INSECTICIDES AGRIMETIS LLC (US) 2020-05-06 EP disclosed
US-20190309007-A1 SPINOSYN DERIVATIVES AS INSECTICIDES CORTEVA AGRISCIENCE LLC 2019-10-10 US disclosed
EP-3344610-A1 SPINOSYN DERIVATIVES AS INSECTICIDES Agrimetis, LLC (US) 2018-07-11 EP disclosed
WO-2017040882-A1 SPINOSYN DERIVATIVES AS INSECTICIDES AGRIMETIS, LLC (US) 2017-03-09 WO disclosed
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 (5 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 ENPP3 1633/4885ENPP1 3033/4885TP53 4751/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 ENPP3 1438/4885ENPP1 3104/4885TP53 4547/4885
US-20190309007-A1 SPINOSYN DERIVATIVES AS INSECTICIDES SPIN3, ACHE, SPIN4 ENPP3 1103/4885ENPP1 2567/4885TP53 4848/4885
US-10711026-B2 Spinosyn derivatives as insecticides SPIN3, ACHE, SPIN4 ENPP3 1103/4885ENPP1 2567/4885TP53 4848/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 ENPP3 836/4885ENPP1 2527/4885TP53 4813/4885

“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.