SCHEMBL6868490

SCHEMBL6868490

Cc1cccc(CCCN[C@H](C)c2cccc3ccccc23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.71
OPRM1 P35372 3/20 0.71
ADRA2C P18825 2/20 0.71
SLC6A2 P23975 2/20 0.71
HTR2C P28335 2/20 0.71
SLC6A4 P31645 2/20 0.71
DRD3 P35462 2/20 0.71
MLNR O43193 1/20 0.71
ABCB11 O95342 1/20 0.71
ADRB1 P08588 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
CYP2D6 P10635 1/20 0.71
CHRM1 P11229 1/20 0.71
DRD2 P14416 1/20 0.71
CHRM3 P20309 1/20 0.71
GLRA1 P23415 1/20 0.71
AVPR2 P30518 1/20 0.71
HRH1 P35367 1/20 0.71
MC3R P41968 1/20 0.71
HTT P42858 1/20 0.71

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
SCHEMBL6223352 0.88 CASR (0.71) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL7895914 0.87 CASR (0.71) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL15131013 0.87 CASR (0.63) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL14036495 0.86 CASR (0.73) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL13889779 0.86 CASR (0.73) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL4784909 0.85 CASR (0.71) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL7914573 0.85 CASR (0.71) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL6221382 0.84 CASR (0.66) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL15131057 0.83 CASR (0.59) CASROPRM1ADRA2CSLC6A2HTR2C
Cinacalcet SCHEMBL71876 0.83 CASR (1.00) CASROPRM1ADRA2CSLC6A2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180055856-A1 COMBINATION OF LOW DOSE 2-METHYLENE-19-NOR-(20S)-1ALPHA, 25-DIHYDROXYVITAMIN D3 AND CALCIMIMETICS TO TREAT SECONDARY HYPERPARATHYROIDISM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-03-01 US disclosed
US-20150152040-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof AMNEAL PHARMACEUTICALS LLC (US) 2015-06-04 US disclosed
US-20150152040-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof AMNEAL PHARMACEUTICALS LLC (US) 2015-06-04 US disclosed
US-20150152040-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof AMNEAL PHARMACEUTICALS LLC (US) 2015-06-04 US disclosed
US-8969623-B2 Method for the preparation of cinacalcet and intermediates and impurities thereof Amneal Pharmaceuticals, LLC (US) 2015-03-03 US disclosed
US-8969623-B2 Method for the preparation of cinacalcet and intermediates and impurities thereof Amneal Pharmaceuticals, LLC (US) 2015-03-03 US disclosed
US-8969623-B2 Method for the preparation of cinacalcet and intermediates and impurities thereof Amneal Pharmaceuticals, LLC (US) 2015-03-03 US disclosed
US-8759586-B2 Processes for the preparation of cinacalcet RANBAXY LABORATORIES LIMITED (IN) 2014-06-24 US disclosed
US-20140081048-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof MEGAFINE PHARMA (P) LTD. (IN) 2014-03-20 US disclosed
US-20140081048-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof MEGAFINE PHARMA (P) LTD. (IN) 2014-03-20 US disclosed
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2012-12-06 US disclosed
US-20110319663-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof Amneal Pharmaceuticals, LLC (US) 2011-12-29 US disclosed
US-20110319663-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof Amneal Pharmaceuticals, LLC (US) 2011-12-29 US disclosed
US-20110319663-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof Amneal Pharmaceuticals, LLC (US) 2011-12-29 US disclosed
US-20110189241-A1 Process For Controlling The Particle Size of A [3-(Trifluoromethyl)Phenyl]-1-Aminopropane Derivative MEDICHEM, S.A. (ES) 2011-08-04 US disclosed
WO-2011056325-A2 OLIGOMER-CALCIMIMETIC CONJUGATES AND RELATED COMPOUNDS NEKTAR THERAPEUTICS (US) 2011-05-12 WO disclosed
WO-2011029833-A1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2011-03-17 WO disclosed
US-20100267988-A1 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF CINACALCET MEDICHEM, S.A. (ES) 2010-10-21 US disclosed
WO-2010004588-A2 PROCESS FOR PREPARING CINACALCET AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2010-01-14 WO disclosed
US-7368606-B2 Amorphous cinacalcet hydrochloride and preparation thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-05-06 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 (7 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-20180055856-A1 COMBINATION OF LOW DOSE 2-METHYLENE-19-NOR-(20S)-1ALPHA, 25-DIHYDROXYVITAMIN D3 AND CALCIMIMETICS TO TREAT SECONDARY HYPERPARATHYROIDISM PTH1R, CYP24A1, VDR CASR 41/4885OPRM1 1865/4885ADRA2C 84/4885
US-20110189241-A1 Process For Controlling The Particle Size of A [3-(Trifluoromethyl)Phenyl]-1-Aminopropane Derivative PKD1, CLTC, NPEPPS CASR 1085/4885OPRM1 3311/4885ADRA2C 1762/4885
US-20110319663-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof CMA1, SI, ALDH1A1 CASR 1464/4885OPRM1 737/4885ADRA2C 267/4885
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET CA4, SI, CA9 CASR 147/4885OPRM1 3913/4885ADRA2C 1904/4885
US-20140081048-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof CMA1, SI, ALDH1A1 CASR 1464/4885OPRM1 737/4885ADRA2C 267/4885
US-20150152040-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof CMA1, SI, ALDH1A1 CASR 1464/4885OPRM1 737/4885ADRA2C 267/4885
US-20100267988-A1 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF CINACALCET SI, KRAS, PREP CASR 1772/4885OPRM1 3343/4885ADRA2C 2661/4885

“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.