SCHEMBL12047423

SCHEMBL12047423

C[C@@H](/N=C/c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
DHODH Q02127 1/20 0.40
RRM1 P23921 1/20 0.40
CHAT P28329 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA2A P08913 4/20 0.38
ADRA2B P18089 4/20 0.38
ADRA2C P18825 4/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL20307892 1.00 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19DHODH
SCHEMBL20307886 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL8550458 0.79 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19DHODH
SCHEMBL16471841 0.77 MAPT (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL29159451 0.77 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL6006538 0.76 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL3736958 0.75 CYP2C9 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL3736965 0.75 CYP2C9 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL3736960 0.75 CYP2C9 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL25991088 0.73 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406211-B1 A NEW METHOD FOR THE PREPARATION OF CINACALCET AND NEW INTERMEDIATES THEREOF MEGAFINE PHARMA P LTD (IN) 2018-06-27 EP 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-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-8575395-B2 Method for the preparation of cinacalcet and intermediates and impurities thereof Amneal Pharmaceuticals, LLC (US) 2013-11-05 US disclosed
US-8575395-B2 Method for the preparation of cinacalcet and intermediates and impurities thereof Amneal Pharmaceuticals, LLC (US) 2013-11-05 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110319663-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof CMA1, SI, ALDH1A1 ALDH1A1 3/4885CYP1A2 636/4885CYP2C9 172/4885
US-20140081048-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof CMA1, SI, ALDH1A1 ALDH1A1 3/4885CYP1A2 636/4885CYP2C9 172/4885
US-20150152040-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof CMA1, SI, ALDH1A1 ALDH1A1 3/4885CYP1A2 636/4885CYP2C9 172/4885

“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.