SCHEMBL304309

SCHEMBL304309

C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@@H](O)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 1.00
ADRB2 P07550 11/20 1.00
ADRB1 P08588 8/20 1.00
CYP2D6 P10635 2/20 1.00
ADRA1D P25100 1/20 1.00
ADRA1A P35348 1/20 1.00
ADRA1B P35368 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
GLA P06280 1/20 0.83
CYP3A4 P08684 1/20 0.81
HIF1A Q16665 1/20 0.81
SLC2A1 P11166 4/20 0.74

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
SCHEMBL3692642 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL304308 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL302999 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL302998 1.00 ADRB3 (1.00) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL4344462 0.99 ADRB3 (0.98) ADRB3ADRB2ADRB1CYP2D6ADRA1D
Water SCHEMBL15421412 0.98 ADRB3 (0.96) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL6539097 0.93 ADRB3 (0.87) ADRB3ADRB2ADRB1CYP2D6ADRA1D
SCHEMBL6539102 0.93 ADRB3 (0.87) ADRB3ADRB2ADRB1CYP2D6ADRA1D
Hydrochloric Acid SCHEMBL6540037 0.93 ADRB3 (0.86) ADRB3ADRB2ADRB1CYP2D6ADRA1D
Hydrochloric Acid SCHEMBL6540028 0.93 ADRB3 (0.86) ADRB3ADRB2ADRB1CYP2D6ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715637-B Glucokinase activators and methods of use thereof 百时美施贵宝公司 2022-04-05 CN disclosed
US-10604541-B2 Glucokinase activators and methods of using same BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-31 US disclosed
US-20190233449-A1 GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 US disclosed
US-10335380-B2 Compounds suitable for the treatment of myeloproliferative neoplasms as well as methods for the diagnosis/prognosis of myeloproliferative neoplasms CNIC Fundacion Centro Nacional de Investigaciones Cardiovasculares Carlos III (ES) 2019-07-02 US disclosed
EP-3487862-A1 GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME Bristol-Myers Squibb Company (US) 2019-05-29 EP disclosed
WO-2018017910-A1 GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-25 WO disclosed
EP-2850073-B1 PYRIMIDINYLPIPERIDINYLOXYPYRIDONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-07-19 EP disclosed
US-20160250163-A1 COMPOUNDS SUITABLE FOR THE TREATMENT OF MYELOPROLIFERATIVE NEOPLASMS AS WELL AS METHODS FOR THE DIAGNOSIS/PROGNOSIS OF MYELOPROLIFERATIVE NEOPLASMS CNIC Fundacion Centro Nacional de Investigaciones Cardiovasculares Carlos III (ES) 2016-09-01 US disclosed
EP-2994119-A1 COMPOUNDS SUITABLE FOR THE TREATMENT OF MYELOPROLIFERATIVE NEOPLASMS CNIC Fundación Centro Nacional de Investigaciones Cardiovasculares Carlos III (ES) 2016-03-16 EP disclosed
US-20150374655-A1 BETA-3 ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY HYPERTENSION HOSPITAL CLINIC DE BARCELONA (ES) 2015-12-31 US disclosed
US-20090042919-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-22 US disclosed
WO-2009012277-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 WO disclosed
WO-2009012275-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 WO disclosed
US-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 US disclosed
WO-2008137435-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-13 WO disclosed
WO-2008137436-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-13 WO disclosed
EP-1070046-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
WO-1999051564-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 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 (9 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-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 ADRB3 143/4885ADRB2 83/4885ADRB1 48/4885
US-10604541-B2 Glucokinase activators and methods of using same GCK, GCKR, GALK1 ADRB3 1906/4885ADRB2 1960/4885ADRB1 1250/4885
US-10335380-B2 Compounds suitable for the treatment of myeloproliferative neoplasms as well as methods for the diagnosis/prognosis of myeloproliferative neoplasms NES, ADRB3, ADRB1 ADRB3 2/4885ADRB2 5/4885ADRB1 3/4885
US-20160250163-A1 COMPOUNDS SUITABLE FOR THE TREATMENT OF MYELOPROLIFERATIVE NEOPLASMS AS WELL AS METHODS FOR THE DIAGNOSIS/PROGNOSIS OF MYELOPROLIFERATIVE NEOPLASMS NES, ADRB3, ADRB1 ADRB3 2/4885ADRB2 5/4885ADRB1 3/4885
US-20090042919-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS GPR119, GPR65, GPR84 ADRB3 156/4885ADRB2 70/4885ADRB1 56/4885
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 ADRB3 159/4885ADRB2 90/4885ADRB1 56/4885
US-20150374655-A1 BETA-3 ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY HYPERTENSION ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885ADRB1 3/4885
US-20190233449-A1 GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCK, GCKR, GALK1 ADRB3 1906/4885ADRB2 1960/4885ADRB1 1250/4885
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 ADRB3 189/4885ADRB2 86/4885ADRB1 41/4885

“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.