SCHEMBL6868445

SCHEMBL6868445

C[C@@H](NCCC(=O)c1cccc(C(F)(F)F)c1)c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.62
ADRA2C P18825 3/20 0.62
SLC6A2 P23975 3/20 0.62
HTR2C P28335 3/20 0.62
SLC6A4 P31645 3/20 0.62
OPRM1 P35372 3/20 0.62
DRD3 P35462 3/20 0.62
ADRB1 P08588 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
CYP2D6 P10635 2/20 0.62
CHRM3 P20309 2/20 0.62
HRH1 P35367 2/20 0.62
SLC6A3 Q01959 2/20 0.62
KCNH2 Q12809 2/20 0.62
GHSR Q92847 2/20 0.62
HTT P42858 2/20 0.62
MLNR O43193 1/20 0.62
ABCB11 O95342 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD2 P14416 1/20 0.62

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
Hydrochloric Acid SCHEMBL1493964 0.99 CASR (0.62) CASRADRA2CSLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL1493965 0.99 CASR (0.62) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL6867893 0.84 CTNNB1 (0.45) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL15369318 0.83 CASR (0.49) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL6813377 0.81 NPSR1 (0.64) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL6813375 0.81 NPSR1 (0.64) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL17915496 0.78 CASR (0.87) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL17053439 0.78 CASR (0.87) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL14313029 0.78 ADRA2C (0.46) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL7941382 0.78 ADRA2C (0.46) CASRADRA2CSLC6A2HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522869-B2 Process for preparing Cinacalcet hydrochloride ZACH SYSTEM S.P.A. (IT) 2016-12-20 US disclosed
US-20140296574-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2014-10-02 US disclosed
US-8637708-B2 Process for preparing cinacalcet ZACH SYSTEM S.P.A. (IT) 2014-01-28 US disclosed
EP-2358659-B1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM SPA (IT) 2012-12-26 EP disclosed
US-20120238778-A1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2012-09-20 US disclosed
US-20110306794-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE ZACH SYSTEM S.P.A. (IT) 2011-12-15 US disclosed
US-20110207965-A1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2011-08-25 US disclosed
WO-2011029833-A1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2011-03-17 WO disclosed
WO-2010094674-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE ZACH SYSTEM S.P.A. (IT) 2010-08-26 WO disclosed
WO-2010049293-A2 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2010-05-06 WO 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 (4 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-20120238778-A1 PROCESS FOR PREPARING CINACALCET CA9, PCSK9, REN CASR 975/4885ADRA2C 1775/4885SLC6A2 1346/4885
US-20140296574-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE SLC5A1, CA9, REN CASR 207/4885ADRA2C 657/4885SLC6A2 323/4885
US-20110207965-A1 PROCESS FOR PREPARING CINACALCET VIP, KRAS, C9 CASR 1351/4885ADRA2C 753/4885SLC6A2 1356/4885
US-20110306794-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE SLC5A1, CA9, REN CASR 207/4885ADRA2C 657/4885SLC6A2 323/4885

“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.