SCHEMBL667781

SCHEMBL667781

Nc1ccc(C(O)CNCCOc2ccc(OCC(=O)O)cc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.62
ADRB1 P08588 9/20 0.62
ADRB2 P07550 4/20 0.55
CYP1A2 P05177 1/20 0.55
ALOX15 P16050 1/20 0.53

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
SCHEMBL667782 1.00 ADRB3 (0.62) ADRB3ADRB1ADRB2CYP1A2ALOX15
SCHEMBL667783 1.00 ADRB3 (0.62) ADRB3ADRB1ADRB2CYP1A2ALOX15
SCHEMBL667469 0.89 ALOX15 (0.69) ADRB3ADRB1ADRB2CYP1A2ALOX15
SCHEMBL667471 0.89 ALOX15 (0.69) ADRB3ADRB1ADRB2CYP1A2ALOX15
SCHEMBL667470 0.89 ALOX15 (0.69) ADRB3ADRB1ADRB2CYP1A2ALOX15
SCHEMBL6925856 0.89 ADRB3 (0.65) ADRB3ADRB1ADRB2ALOX15
SCHEMBL6925853 0.89 ADRB3 (0.65) ADRB3ADRB1ADRB2ALOX15
SCHEMBL6925849 0.89 ADRB3 (0.65) ADRB3ADRB1ADRB2ALOX15
Hydrochloric Acid SCHEMBL6136770 0.88 ALOX15 (0.71) ADRB3ADRB1ADRB2CYP1A2ALOX15
Hydrochloric Acid SCHEMBL6136778 0.88 ALOX15 (0.71) ADRB3ADRB1ADRB2CYP1A2ALOX15

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004162-A1 Use of glycogen phosphorylase inhibitors TREADWAY JUDITH L (US) 2003-01-02 US claimed
EP-1136071-A2 Use of glycogen phosphorylase inhibitors Pfizer Products Inc. (US) 2001-09-26 EP claimed
EP-1099438-A2 Use of APO B secretion/MTP inhibitors Pfizer Products Inc. (US) 2001-05-16 EP claimed
EP-1099439-A2 Use of apo B secretion/MTP inhibitors Pfizer Products Inc. (US) 2001-05-16 EP claimed
EP-1099441-A2 Compositions containing apo B secretion/MTP inhibitors and anti-obesity agents and use thereof Pfizer Products Inc. (US) 2001-05-16 EP claimed
US-6001856-A β-adrenergic agonists to reduce a wasting condition PFIZER INC. (US) 1999-12-14 US claimed
US-5977124-A β-adrenergic agonists PFIZER INC. (US) 1999-11-02 US claimed
EP-0887079-A1 Beta-Adrenergic agonists to reduce a wasting condition PFIZER INC. (US) 1998-12-30 EP claimed
EP-0828712-A1 BETA-ADRENERGIC AGONISTS PFIZER INC. (US) 1998-03-18 EP claimed
EP-0824519-A1 BETA-ADRENERGIC AGONISTS PFIZER INC. (US) 1998-02-25 EP claimed
WO-1996035671-A1 β-ADRENERGIC AGONISTS PFIZER INC. (US) 1996-11-14 WO claimed
WO-1996035670-A1 β-ADRENERGIC AGONISTS PFIZER INC. (US) 1996-11-14 WO claimed
US-10420781-B2 Thyroid hormone receptor agonist and use thereof METABASIS THERAPEUTICS INC. (US) 2019-09-24 US disclosed
US-20180344752-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF METABASIS THERAPEUTICS INC. 2018-12-06 US disclosed
US-20170319604-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF METABASIS THERAPEUTICS, INC. 2017-11-09 US disclosed
WO-2013133685-A1 EXTRACT FORMULATIONS OF RHODAMNIA CINEREA AND USES THEREOF BIOTROPICS MALAYSIA BERHAD (MY) 2013-09-12 WO disclosed
EP-0828712-A1 BETA-ADRENERGIC AGONISTS PFIZER INC. (US) 1998-03-18 EP disclosed
EP-0824519-A1 BETA-ADRENERGIC AGONISTS PFIZER INC. (US) 1998-02-25 EP disclosed
WO-1996035671-A1 β-ADRENERGIC AGONISTS PFIZER INC. (US) 1996-11-14 WO disclosed
WO-1996035670-A1 β-ADRENERGIC AGONISTS PFIZER INC. (US) 1996-11-14 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 (4 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-10420781-B2 Thyroid hormone receptor agonist and use thereof THRB, THRA, TSHR ADRB3 59/4885ADRB1 49/4885ADRB2 77/4885
US-20180344752-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF THRB, THRA, TSHR ADRB3 59/4885ADRB1 49/4885ADRB2 77/4885
US-20170319604-A1 THYROID HORMONE RECEPTOR AGONIST AND USE THEREOF THRB, THRA, TSHR ADRB3 59/4885ADRB1 49/4885ADRB2 77/4885
US-20030004162-A1 Use of glycogen phosphorylase inhibitors PYGL, PYGM, GYS2 ADRB3 2257/4885ADRB1 3245/4885ADRB2 3002/4885

“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.