SCHEMBL561095

SCHEMBL561095

CC(=O)c1cc(OCc2ccccc2)cc(N)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.62
▸ CYP2C19 P33261 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MAOA P21397 8/20 0.48
▸ PARP10 Q53GL7 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ MCL1 Q07820 1/20 0.45

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
SCHEMBL28849620 0.86 MAOB (0.49) MAOBCYP2C19SMN1; SMN2L3MBTL1MAPT
SCHEMBL8557629 0.86 MAOB (0.58) MAOBCYP2C19SMN1; SMN2L3MBTL1MAPT
Hydrochloric Acid SCHEMBL7249802 0.82 MAOB (0.72) MAOBCYP2C19SMN1; SMN2L3MBTL1MAPT
SCHEMBL24512632 0.80 HDAC3 (0.43) MAOBMAPTMEN1KMT2AMAOA
SCHEMBL561090 0.79 MAOB (0.56) MAOBCYP2C19SMN1; SMN2L3MBTL1MAPT
SCHEMBL560607 0.78 MAOB (0.81) MAOBCYP2C19SMN1; SMN2L3MBTL1MAPT
SCHEMBL11026163 0.78 MAOB (0.55) MAOBCYP2C19SMN1; SMN2L3MBTL1MAPT
SCHEMBL27664376 0.77 MEN1 (0.47) MAOBCYP2C19L3MBTL1MEN1KMT2A
SCHEMBL567416 0.77 MAOB (1.00) MAOBL3MBTL1MAPTMAOAHTT
SCHEMBL29945833 0.77 MAOB (1.00) MAOBL3MBTL1MAPTMAOAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111298834-A Preparation method of pharmaceutical intermediate for department of respiration 孙桂霞 2020-06-19 — — CN claimed
CN-111298834-A Preparation method of pharmaceutical intermediate for department of respiration 孙桂霞 2020-06-19 — — CN disclosed
CN-111298834-A Preparation method of pharmaceutical intermediate for department of respiration 孙桂霞 2020-06-19 — — CN disclosed
CN-107108502-A having beta2Biphenyl derivatives with receptor agonism and M receptor antagonistic activity and application thereof in medicine 四川海思科制药有限公司 2017-08-29 — — CN disclosed
WO-2016180349-A1 BIPHENYL DERIVATIVE HAVING BETA2 RECEPTOR EXCITEMENT AND M RECEPTOR ANTAGONISTIC ACTIVITIES AND APPLICATION THEREFOF IN MEDICAMENT 四川海思科制药有限公司 2016-11-17 — — WO disclosed
EP-1789405-B1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INT (DE) 2013-07-17 — — EP disclosed
US-8420809-B2 Process for the manufacturing of betamimetics BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 — — US disclosed
EP-1794154-B1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2013-02-27 — — EP disclosed
EP-1809236-B1 INHALATION POWDER FORMULATIONS CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-12-26 — — EP disclosed
EP-1901776-B1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE BOEHRINGER INGELHEIM INT (DE) 2012-02-22 — — EP disclosed
US-20060189607-A1 Long-acting betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-24 — — US disclosed
WO-2006032627-A1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-30 — — WO disclosed
US-20060063817-A1 New betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-23 — — US disclosed
US-20050277632-A1 Beta agonists for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 — — US disclosed
US-20050267106-A1 New enentiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 — — US disclosed
WO-2005110359-A1 INHALATION POWDER FORMULATIONS CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 — — WO disclosed
WO-2005110990-A1 HYDROXY-SUBSTITUTED BENZO-CONDENSED HETEROCYCLES FOR USE AS BETA AGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 — — WO disclosed
WO-2005111005-A1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 — — WO disclosed
US-20050255050-A1 Powder formulations for inhalation, comprising enantiomerically pure beta agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 — — US disclosed
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 — — 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 (6 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-20050227975-A1 New long acting beta-2-agonists and their use as medicaments ADRB2, ADRA2A, ADRB1 MAOB 1193/4885CYP2C19 1381/4885SMN1; SMN2 2334/4885
US-20060189607-A1 Long-acting betamimetics for the treatment of respiratory complaints ADRA1A, ADRA1D, ADRA2A MAOB 209/4885CYP2C19 637/4885SMN1; SMN2 477/4885
US-20060063817-A1 New betamimetics for the treatment of respiratory complaints CHRM1, ADRB1, ADRA1B MAOB 98/4885CYP2C19 772/4885SMN1; SMN2 1028/4885
US-20050267106-A1 New enentiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments ADRB1, ADRB2, ADRA1D MAOB 1198/4885CYP2C19 437/4885SMN1; SMN2 1833/4885
US-20050277632-A1 Beta agonists for the treatment of respiratory diseases ADRB1, ADRB2, ADRA1B MAOB 283/4885CYP2C19 739/4885SMN1; SMN2 1102/4885
US-20050255050-A1 Powder formulations for inhalation, comprising enantiomerically pure beta agonists ADRB1, ADRB2, ADRB3 MAOB 630/4885CYP2C19 323/4885SMN1; SMN2 1424/4885

“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.

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