SCHEMBL274550

SCHEMBL274550

O=CNc1cc([C@@H](O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
FOLH1 Q04609 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ACP1 P24666 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN13 Q12923 1/20 0.41
SSU72 Q9NP77 1/20 0.41
BRD4 O60885 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
SCHEMBL30341869 1.00 ADRB2 (0.45) ADRB2L3MBTL1TDP1PRMT5WDR77
SCHEMBL7798917 1.00 ADRB2 (0.45) ADRB2L3MBTL1TDP1PRMT5WDR77
SCHEMBL719851 1.00 ADRB2 (0.45) ADRB2L3MBTL1TDP1PRMT5WDR77
SCHEMBL18415198 0.88 ADRB2 (0.45) ADRB2L3MBTL1TDP1PRMT5WDR77
SCHEMBL21141440 0.88 ADRB2 (0.45) ADRB2L3MBTL1TDP1PRMT5WDR77
SCHEMBL3978396 0.86 ADRB2 (0.43) ADRB2L3MBTL1TDP1PRMT5WDR77
SCHEMBL2456888 0.84 ADRB3 (0.53) ADRB2ADRB3
SCHEMBL7119142 0.84 ADRB3 (0.53) ADRB2ADRB3
SCHEMBL6074905 0.84 ADRB3 (0.53) ADRB2ADRB3
SCHEMBL5742454 0.83 L3MBTL1 (0.44) ADRB2L3MBTL1TDP1FOLH1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115873909-B Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-08-11 CN claimed
CN-115873909-A Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-03-31 CN claimed
CN-115873909-B Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-08-11 CN disclosed
CN-115873909-B Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-08-11 CN disclosed
CN-115873909-A Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-03-31 CN disclosed
CN-115873909-A Preparation method of arformoterol chiral intermediate 天津法莫西生物医药科技有限公司 2023-03-31 CN disclosed
CN-107074833-B Having beta2Benzo ring derivatives with receptor agonistic and M3 receptor antagonistic activities and application thereof in medicine 四川海思科制药有限公司 2021-05-25 CN disclosed
US-20190185461-A1 BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-06-20 US disclosed
EP-3375781-A1 BENZO RING DERIVATIVE WITH B2 RECEPTOR AGONIST AND M3 RECEPTOR ANTAGONIST ACTIVITIES AND USE THEREOF IN MEDICINE Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2018-09-19 EP disclosed
EP-3012254-B1 BIPHENYL DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS THERAVANCE RESPIRATORY CO LLC (US) 2017-05-17 EP disclosed
WO-2017012489-A1 BENZO RING DERIVATIVE WITH Β2 RECEPTOR AGONIST AND M3 RECEPTOR ANTAGONIST ACTIVITIES AND USE THEREOF IN MEDICINE 四川海思科制药有限公司 2017-01-26 WO disclosed
WO-2004106279-A2 CRYSTALLINE FORM OF β2 ADRENERGIC RECEPTOR AGONIST THERAVANCE, INC. (US) 2004-12-09 WO disclosed
WO-2004106333-A1 AZABICYCLOALKANE COMPOUNDS AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2004-12-09 WO disclosed
US-20040242622-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-02 US disclosed
WO-2004089892-A2 DIARYLMETHYL AND RELATED COMPOUNDS HAVING BETA2 ANDRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2004-10-21 WO disclosed
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
WO-2004074276-A1 BIPHENYL DERIVATIVES HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
WO-2004074246-A2 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2004-08-26 US 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-20190185461-A1 BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF HCAR2, CHRM3, BDKRB2 ADRB2 10/4885L3MBTL1 2392/4885TDP1 3818/4885
US-20040242622-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA1B ADRB2 2/4885L3MBTL1 3218/4885TDP1 3978/4885
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRB1, ADRB2, ADRA2B ADRB2 2/4885L3MBTL1 2489/4885TDP1 4437/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B ADRB2 2/4885L3MBTL1 2462/4885TDP1 4436/4885
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation ADRA2C, ADRB2, AHR ADRB2 2/4885L3MBTL1 1655/4885TDP1 4506/4885

“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.