SCHEMBL317239

SCHEMBL317239

B.CCN(c1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IGLV6-57 P01721 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
ESR1 P03372 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2398343 0.98 TAAR1 (0.47) TAAR1TP53MAPTTSHRALDH1A1
SCHEMBL10939839 0.84 TSHR (0.43) TAAR1TP53MAPTTSHRALDH1A1
SCHEMBL17275800 0.82 TAAR1 (0.38) TAAR1TP53MAPTTSHRALDH1A1
SCHEMBL11729319 0.81 ALDH1A1 (0.50) TP53MAPTTSHRALDH1A1LMNA
SCHEMBL10650653 0.80 TSHR (0.41) TAAR1TP53MAPTTSHRALDH1A1
SCHEMBL8959902 0.80 TAAR1 (0.49) TAAR1TP53MAPTTSHRALDH1A1
SCHEMBL8692711 0.80 TSHR (0.41) TAAR1TP53MAPTTSHRALDH1A1
SCHEMBL2215314 0.80 TSHR (0.41) TAAR1TP53MAPTTSHRALDH1A1
SCHEMBL415762 0.80 TSHR (0.45) TAAR1TP53MAPTTSHRALDH1A1
SCHEMBL479210 0.80 TSHR (0.41) TAAR1TP53MAPTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177589-B1 METHOD FOR THE SYNTHESIS OF MIRABEGRON AND ITS DERIVATIVES INTERQUIM SA (ES) 2018-06-20 EP claimed
US-9815771-B2 Method for the synthesis of mirabegron and its derivatives INTERQUIM, S.A. (ES) 2017-11-14 US claimed
US-20170226045-A1 METHOD FOR THE SYNTHESIS OF MIRABEGRON AND ITS DERIVATIVES INTERQUIM, S.A. (ES) 2017-08-10 US claimed
EP-3177589-A1 METHOD FOR THE SYNTHESIS OF MIRABEGRON AND ITS DERIVATIVES Interquim, S.A. (ES) 2017-06-14 EP claimed
EP-2817289-B1 ASYMMETRIC SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOSULFONE COMPOUNDS CELGENE CORP (US) 2016-12-21 EP claimed
WO-2016020440-A1 METHOD FOR THE SYNTHESIS OF MIRABEGRON AND ITS DERIVATIVES INTERQUIM, S.A. (ES) 2016-02-11 WO claimed
EP-2817289-A2 ASYMMETRIC SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOSULFONE COMPOUNDS Celgene Corporation (US) 2014-12-31 EP claimed
WO-2013126495-A2 ASYMMETRIC SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOSULFONE COMPOUNDS CELGENE CORPORATION (US) 2013-08-29 WO claimed
US-8093436-B2 Process for synthesis of (3R,3′R)-zeaxanthin and (3R,3′S;meso)-zeaxanthin from (3R,3′R,6′R)-lutein via (3R)-3′,4′-anhydrolutein UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2012-01-10 US claimed
US-20100010212-A1 Processes for the preparation of (3R,4S)-4-((4-benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-2-azetidinone, an intermediate for the synthesis of ezetimibe KANSAL VINOD KUMAR 2010-01-14 US claimed
US-20090238933-A1 Process for Synthesis of (3R,3'R)-Zeaxanthin and (3R,3'S;meso)-Zeaxanthin from (3R,3'R,6'R)-Lutein via (3R)-3',4'-Anhydrolutein UNIVERSITY OF MARYLAND, COLLEGE PARK 2009-09-24 US claimed
EP-1922304-A2 PROCESSES FOR THE PREPARATION OF (3R,4S)-4-((4-BENZYLOXY)PHENYL)-1-(4-FLUOROPHENYL)-3-((S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL)-2-AZETIDINONE, AN INTERMEDIATE FOR THE SYNTHESIS OF EZETIMIBE Teva Pharmaceutical Industries Ltd (IL) 2008-05-21 EP claimed
WO-2007030721-A9 PROCESSES FOR THE PREPARATION OF (3R,4S)-4-((4-BENZYLOXY)PHENYL)-1-(4-FLUOROPHENYL)-3-((S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL)-2-AZETIDINONE, AN INTERMEDIATE FOR THE SYNTHESIS OF EZETIMIBE TEVA PHARMA (IL) 2008-04-24 WO claimed
CN-100351284-C Actinic radiation curable compositions and uses thereof HUNTSMAN ADV MAT SWITZERLAND (CH) 2007-11-28 CN claimed
US-20070259845-A1 Processes for the preparation of (3R,4S)-4-((4-benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-2-azetidinone, an intermediate for the synthesis of ezetimibe TEVA PHARMACEUTICALS USA, INC. 2007-11-08 US claimed
WO-2007030721-A2 PROCESSES FOR THE PREPARATION OF (3R,4S)-4-((4-BENZYLOXY)PHENYL)-1-(4-FLUOROPHENYL)-3-((S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL)-2-AZETIDINONE, AN INTERMEDIATE FOR THE SYNTHESIS OF EZETIMIBE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-03-15 WO claimed
US-20060069263-A1 Process for the reduction of (S)-2-amino-6-propionamido-4,5,6,7-tetrahydrobenzo-thiazole CHEMAGIS LTD. (IL) 2006-03-30 US claimed
CN-1659204-A Actinic radiation curable compositions and uses thereof HUNTSMAN ADV MAT SWITZERLAND (CH) 2005-08-24 CN claimed
EP-3177589-B1 METHOD FOR THE SYNTHESIS OF MIRABEGRON AND ITS DERIVATIVES INTERQUIM SA (ES) 2018-06-20 EP disclosed
US-6204405-B1 REACTING TRI-O-PHENYLENE BIS BORATE WITH DIBORANE SIGMA-ALDRICH CO. 2001-03-20 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-20060069263-A1 Process for the reduction of (S)-2-amino-6-propionamido-4,5,6,7-tetrahydrobenzo-thiazole TST, ABAT, TH TAAR1 1091/4885TP53 4221/4885MAPT 890/4885
US-20100010212-A1 Processes for the preparation of (3R,4S)-4-((4-benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-2-azetidinone, an intermediate for the synthesis of ezetimibe HMGCR, PCSK9, CYP4B1 TAAR1 4766/4885TP53 4823/4885MAPT 4470/4885
US-20070259845-A1 Processes for the preparation of (3R,4S)-4-((4-benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-2-azetidinone, an intermediate for the synthesis of ezetimibe HMGCR, CYP4B1, PCSK9 TAAR1 4763/4885TP53 4819/4885MAPT 4439/4885
US-20090238933-A1 Process for Synthesis of (3R,3'R)-Zeaxanthin and (3R,3'S;meso)-Zeaxanthin from (3R,3'R,6'R)-Lutein via (3R)-3',4'-Anhydrolutein AQP3, B3GAT3, MC3R TAAR1 2911/4885TP53 4443/4885MAPT 3628/4885
US-20170226045-A1 METHOD FOR THE SYNTHESIS OF MIRABEGRON AND ITS DERIVATIVES ADRB3, GLP1R, ADRB1 TAAR1 325/4885TP53 4843/4885MAPT 2330/4885

“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.