SCHEMBL1504899

SCHEMBL1504899

C[C@@H](NC(C=Cc1cccc(C(F)(F)F)c1)OC(=O)/C=C/C(=O)OC(C=Cc1cccc(C(F)(F)F)c1)N[C@H](C)c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASR P41180 4/20 0.44
ADRA2C P18825 2/20 0.44
SLC6A2 P23975 2/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
HTT P42858 2/20 0.44
MLNR O43193 1/20 0.44
ABCB11 O95342 1/20 0.44
ADRB1 P08588 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
CHRM3 P20309 1/20 0.44
GLRA1 P23415 1/20 0.44
AVPR2 P30518 1/20 0.44

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
SCHEMBL10476078 0.83 MEN1 (0.42) MEN1KMT2ACASRADRA2CSLC6A2
SCHEMBL4732908 0.80 KDM4E (0.54) MEN1KMT2ACASRADRA2CSLC6A2
SCHEMBL1329590 0.80 KDM4E (0.54) MEN1KMT2ACASRADRA2CSLC6A2
SCHEMBL6813373 0.80 KDM4E (0.54) MEN1KMT2ACASRADRA2CSLC6A2
SCHEMBL4732912 0.80 KDM4E (0.54) MEN1KMT2ACASRADRA2CSLC6A2
SCHEMBL1329587 0.80 KDM4E (0.54) MEN1KMT2ACASRADRA2CSLC6A2
SCHEMBL8468918 0.80 KDM4E (0.54) MEN1KMT2ACASRADRA2CSLC6A2
SCHEMBL2871432 0.80 NFE2L2 (0.42) MEN1KMT2ACASRADRA2CSLC6A2
Fumaric Acid SCHEMBL1504902 0.75 CASR (0.51) MEN1KMT2ACASRADRA2CSLC6A2
Fumaric Acid SCHEMBL1504896 0.75 CASR (0.51) MEN1KMT2ACASRADRA2CSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759586-B2 Processes for the preparation of cinacalcet RANBAXY LABORATORIES LIMITED (IN) 2014-06-24 US disclosed
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2012-12-06 US disclosed
EP-2477959-A1 PROCESSES FOR THE PREPARATION OF CINACALCET Ranbaxy Laboratories Limited (IN) 2012-07-25 EP disclosed
WO-2011033473-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2011-03-24 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 (1 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-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET CA4, SI, CA9 MEN1 118/4885KMT2A 3283/4885CASR 147/4885

“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.