SCHEMBL1310641

SCHEMBL1310641

NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.61
ADRB1 P08588 10/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
DRD2 P14416 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
PTGS2 P35354 1/20 0.59
KMT2A Q03164 1/20 0.59
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
SLC6A2 P23975 1/20 0.54
ADRA1D P25100 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54

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
SCHEMBL20285631 1.00 ADRB2 (0.61) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL1310646 1.00 ADRB2 (0.61) ADRB2ADRB1KDM4EMEN1LMNA
Fluoride SCHEMBL28425860 0.98 ADRB2 (0.60) ADRB2ADRB1KDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL14166246 0.98 ADRB2 (0.60) ADRB2ADRB1KDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL5681928 0.98 ADRB2 (0.60) ADRB2ADRB1KDM4EMEN1LMNA
Acetic Acid SCHEMBL98724 0.93 ADRB2 (0.56) ADRB2ADRB1KDM4EMEN1LMNA
Acetic Acid SCHEMBL99495 0.93 ADRB2 (0.56) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL14290919 0.88 ADRB2 (0.70) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL6455562 0.86 ADRB2 (0.60) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL20730387 0.85 ADRB2 (0.66) ADRB2ADRB1SLC6A2ADRA1DHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US claimed
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-12 US disclosed
EP-4219485-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-02 EP disclosed
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2022-09-20 US disclosed
EP-3735406-B1 A PROCESS FOR PREPARATION OF 5-(2-(SUBSTITUTED-AMINO)-1-HYDROXYETHYL)-8-(SUBSTITUTED-OXY) QUINOLIN-2(1H)-ONE DEVA HOLDING AS (TR) 2022-05-11 EP disclosed
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN disclosed
EP-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 EP disclosed
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP disclosed
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
EP-1613599-B1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2010-12-15 EP disclosed
EP-1791820-B1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES NOVARTIS AG (CH) 2009-12-02 EP disclosed
EP-1599450-B1 PROCESS FOR PREPARING 5-[(R)-2-(5,6-DIETHYL-INDAN-2-YLAMINO)-1-HYDROXY-ETHYL]-8-HYDROXY-(1H)-QUINOLIN-2-ONE SALTS, USEFUL AS ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2009-06-24 EP disclosed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-1641465-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID Theravance, Inc. (US) 2006-04-05 EP disclosed
WO-2005025555-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE, INC. (US) 2005-03-24 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-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, MRGPRX2 ADRB2 16/4885ADRB1 15/4885KDM4E 3143/4885
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure AGTR2, AGTR1, ADRB2 ADRB2 3/4885ADRB1 4/4885KDM4E 3505/4885
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885KDM4E 3961/4885
US-20110275623-A1 BI-FUNCTIONAL PYRAZOLOPYRIDINE COMPOUNDS BDKRB2, BDKRB1, P2RX7 ADRB2 40/4885ADRB1 44/4885KDM4E 2797/4885
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CYP3A43, ABCB1, ABCB11 ADRB2 540/4885ADRB1 1001/4885KDM4E 4471/4885

“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.