SCHEMBL2250255

SCHEMBL2250255

CCOC(=O)COc1cc(C)c(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1C

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.68
ADRB2 P07550 2/20 0.47
LMNA P02545 2/20 0.47
HIF1A Q16665 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
OPRM1 P35372 2/20 0.47
ADRB1 P08588 2/20 0.47
CYP2D6 P10635 1/20 0.47
GALR3 O60755 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRK1 P41145 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL3027520 1.00 ADRB3 (0.68) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL14307655 1.00 ADRB3 (0.68) ADRB3ADRB2LMNAHIF1ASLC6A2
Hydrochloric Acid SCHEMBL4608896 0.99 ADRB3 (0.68) ADRB3ADRB2LMNAHIF1ASLC6A2
Hydrochloric Acid SCHEMBL2250378 0.99 ADRB3 (0.68) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6814366 0.92 ADRB3 (0.75) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6814376 0.92 ADRB3 (0.75) ADRB3ADRB2LMNAHIF1ASLC6A2
Ritobegron SCHEMBL1404071 0.89 ADRB3 (0.64) ADRB3ADRB2LMNAHIF1ASLC6A2
Ritobegron SCHEMBL5916906 0.89 ADRB3 (0.64) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL13653975 0.89 ADRB3 (0.54) ADRB3ADRB2LMNAHIF1ASLC6A2
Ritobegron SCHEMBL1404072 0.89 ADRB3 (0.64) ADRB3ADRB2LMNAHIF1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728508-B1 MEDICINE FOR PREVENTION OR TREATMENT OF FREQUENT URINATION OR URINARY INCONTINENCE KISSEI PHARMACEUTICAL (JP) 2009-09-09 EP claimed
US-20090012161-A9 Pharmaceutical composition comprising a beta-3-adrenoceptor agonist and a serotonin and/or norepinephrine reuptake inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 US claimed
EP-1620085-B1 USE OF PHENOXYACETIC ACID DERIVATIVES FOR TREATING HYPERACTIVE BLADDER KISSEI PHARMACEUTICAL (JP) 2008-07-23 EP claimed
EP-1572181-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BETA-3-ADRENOCEPTOR AGONIST AND A SEROTONIN AND/OR NOREPINEPHRINE REUPTAKE INHIBITOR AND THE USE OF SAID COMPOSITION FOR TREATING BLADDER DYSFUNCTION BOEHRINGER INGELHEIM INT (DE) 2008-06-25 EP claimed
US-20070129435-A1 Pharmaceutical Composition For Treating Stress Incontinence And/Or Mixed Incontinence MICHEL MARTIN 2007-06-07 US claimed
EP-1640000-A2 Pharmaceutical composition comprising a beta-3-adrenoceptor agonist and a serotonin and/or norepinephrine reuptake inhibitor Boehringer Ingelheim International GmbH (DE) 2006-03-29 EP claimed
EP-1620085-A1 USE OF PHENOXYACETIC ACID DERIVATIVES FOR TREATING HYPERACTIVE BLADDER Kissei Pharmaceutical Co., Ltd. (JP) 2006-02-01 EP claimed
US-20050261328-A1 Pharmaceutical composition comprising beta-3-adrenoceptor-agonists and antimuscarinic agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US claimed
US-20050261369-A1 Pharmaceutical composition comprising a beta-3-adrenoceptor agonist and a serotonin and/or norepinephrine reuptake inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US claimed
US-20050154041-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and alpha-agonist BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2005-07-14 US claimed
US-20050119239-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and an active substance which influences prostaglandin metabolism BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-02 US claimed
US-20050101607-A1 Pharmaceutical composition containing a beta-3-adrenoceptor agonist and an alpha antagonist and/or a 5-alpha reductase inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-12 US claimed
WO-2004098586-A1 USE OF PHENOXYACETIC ACID DERIVATIVES FOR TREATING HYPERACTIVE BLADDER KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 WO claimed
US-20040229947-A1 Method of treating hyperactive bladder using phenoxyacetic acid derivatives KISSEI PHARMACEUTICAL CO., LTD. 2004-11-18 US claimed
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP claimed
US-20230265153-A1 ENGINEERED PLATELETS FOR TARGETED DELIVERY OF A THERAPEUTIC AGENT JPV01 LTD (GB) 2023-08-24 US disclosed
US-11548928-B2 Engineered platelets for targeted delivery of a therapeutic agent JPV01 LTD. (GB) 2023-01-10 US disclosed
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP 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 (8 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-20050101607-A1 Pharmaceutical composition containing a beta-3-adrenoceptor agonist and an alpha antagonist and/or a 5-alpha reductase inhibitor ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885LMNA 2502/4885
US-20050261369-A1 Pharmaceutical composition comprising a beta-3-adrenoceptor agonist and a serotonin and/or norepinephrine reuptake inhibitor ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885LMNA 1918/4885
US-20050154041-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and alpha-agonist ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885LMNA 1686/4885
US-20050261328-A1 Pharmaceutical composition comprising beta-3-adrenoceptor-agonists and antimuscarinic agents ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885LMNA 2025/4885
US-20040229947-A1 Method of treating hyperactive bladder using phenoxyacetic acid derivatives BPHL, HTR5A, PNMT ADRB3 123/4885ADRB2 96/4885LMNA 4385/4885
US-20050119239-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and an active substance which influences prostaglandin metabolism ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885LMNA 1785/4885
US-20090012161-A9 Pharmaceutical composition comprising a beta-3-adrenoceptor agonist and a serotonin and/or norepinephrine reuptake inhibitor ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885LMNA 1918/4885
US-20070129435-A1 Pharmaceutical Composition For Treating Stress Incontinence And/Or Mixed Incontinence ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885LMNA 1963/4885

“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.