SCHEMBL1592821

SCHEMBL1592821

C[C@H](Cc1ccc2c(c1)OCC(C(=O)O)O2)NC[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.66
ADRB2 P07550 11/20 0.66
ADRB1 P08588 11/20 0.66
ADRA1D P25100 2/20 0.66
ADRA1A P35348 2/20 0.66
ADRA1B P35368 2/20 0.66
ADRA2A P08913 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
ALOX15 P16050 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
SLC2A1 P11166 2/20 0.56
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.51

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
SCHEMBL15382678 1.00 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL1770178 1.00 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL10085311 1.00 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL5458218 1.00 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL364457 1.00 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL7160000 1.00 ADRB3 (0.66) ADRB3ADRB2ADRB1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7492283 0.99 ADRB3 (0.65) ADRB3ADRB2ADRB1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7487214 0.99 ADRB3 (0.65) ADRB3ADRB2ADRB1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7489762 0.99 ADRB3 (0.65) ADRB3ADRB2ADRB1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7488236 0.99 ADRB3 (0.65) ADRB3ADRB2ADRB1ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092509-A1 Pharmaceutical Composition for Prevention or Treatment of Disease Associated with Tear Reduction Kissei Pharmaceutical, Co. Ltd. (JP) 2011-04-21 US claimed
EP-2123268-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASE ASSOCIATED WITH TEAR REDUCTION Kissei Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP claimed
EP-3024474-B1 COMPOSITIONS COMPRISING DESMOPRESSIN IN COMBINATION WITH A BETA-3 ADRENERGIC RECEPTOR AGONIST SERENITY PHARMACEUTICALS LLC (US) 2022-01-05 EP disclosed
US-10568927-B2 Methods and compositions comprising desmopressin in combination with a beta-3-adrenergic receptor agonist SERENITY PHARMACEUTICALS LLC (US) 2020-02-25 US disclosed
US-9814753-B2 Methods and compositions comprising desmopressin in combination with a beta-3-adrenergic receptor agonist SERENITY PHARMACEUTICALS LLC (US) 2017-11-14 US disclosed
EP-3024474-A1 METHODS AND COMPOSITIONS COMPRISING DESMOPRESSIN IN COMBINATION WITH A BETA-3 ADRENERGIC RECEPTOR AGONIST ALLERGAN, INC. (US) 2016-06-01 EP disclosed
US-20150031613-A1 METHODS AND COMPOSITIONS COMPRISING DESMOPRESSIN IN COMBINATION WTIH A BETA-3-ADRENERGIC RECEPTOR AGONIST SERENITY PHARMACEUTICALS LLC 2015-01-29 US disclosed
WO-2015013454-A1 METHODS AND COMPOSITIONS COMPRISING DESMOPRESSIN IN COMBINATION WITH A BETA-3 ADRENERGIC RECEPTOR AGONIST ALLERGAN, INC. (US) 2015-01-29 WO disclosed
US-20110092509-A1 Pharmaceutical Composition for Prevention or Treatment of Disease Associated with Tear Reduction Kissei Pharmaceutical, Co. Ltd. (JP) 2011-04-21 US disclosed
EP-2123268-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASE ASSOCIATED WITH TEAR REDUCTION Kissei Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed
US-20090275626-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEUROGENIC PAIN KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1020458-B1 OPTICALLY ACTIVE 1,4-BENZODIOXINE-2-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NISSHIN PHARMA INC (JP) 2008-05-07 EP disclosed
JP-2008007502-A OBESITY-CURATIVE AGENT AND METHOD FOR TREATING AND PREVENTING OBESITY KYORIN PHARMACEUT CO LTD 2008-01-17 JP disclosed
US-20060084700-A1 Use of a beta-3 agonist for the treatment of disorders of the prostate and of the lower urogenital tract BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-20 US disclosed
US-6509482-B2 Chemical intermediates for synthesis of optical isomers useful as prophylactic and therapeutic agents for diabetes and hyperglycemia NISSHIN PHARMA INC. (JP) 2003-01-21 US disclosed
US-20020028957-A1 Optically active 1,4-benzodioxin-2-carboxylic acid derivatives and process for producing the same NISSHIN PHARMA INC. (JP) 2002-03-07 US disclosed
US-6329533-B2 CHEMICAL INTERMEDIATE FOR ANTIDIABETIC DRUG NISSHIN PHARMA INC. (JP) 2001-12-11 US disclosed
US-20010018529-A1 Optically active 1,4-benzodioxin-2-carboxylic acid derivatives and process for producing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 2001-08-30 US disclosed
US-6222050-B1 AS CHEMICAL INTERMEDIATES USEFUL FOR SYNTHESIS OF (RRR)-OPTICAL ISOMERS OF 1,4-BENZODIOXIN-2-CARBOXYLIC ACID DERIVATIVES WHICH ARE USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENT FOR DIABETES, HYPERGLYCEMIA NISSHIN FLOUR MILLING CO., LTD. (JP) 2001-04-24 US disclosed
EP-1020458-A1 OPTICALLY ACTIVE 1,4-BENZODIOXINE-2-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Nisshin Flour Milling Co., Ltd. (JP) 2000-07-19 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 (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-20020028957-A1 Optically active 1,4-benzodioxin-2-carboxylic acid derivatives and process for producing the same GPR119, CBR1, ADH1C ADRB3 954/4885ADRB2 551/4885ADRB1 321/4885
US-20010018529-A1 Optically active 1,4-benzodioxin-2-carboxylic acid derivatives and process for producing the same CBR1, GPR119, ADH1C ADRB3 867/4885ADRB2 493/4885ADRB1 299/4885
US-20060084700-A1 Use of a beta-3 agonist for the treatment of disorders of the prostate and of the lower urogenital tract ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885ADRB1 3/4885
US-20110092509-A1 Pharmaceutical Composition for Prevention or Treatment of Disease Associated with Tear Reduction SSB, CUTA, HRH2 ADRB3 1960/4885ADRB2 1315/4885ADRB1 1498/4885
US-20090275626-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEUROGENIC PAIN ADRB3, ALOX5, LTB4R ADRB3 1/4885ADRB2 26/4885ADRB1 22/4885

“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.