SCHEMBL1505949

SCHEMBL1505949

C=CC(Cl)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
ACP3 P15309 2/20 0.44
CES2 O00748 2/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
DAO P14920 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MGLL Q99685 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HSD11B1 P28845 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 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
SCHEMBL16957413 0.81 PNMT (0.50) PNMTIDO1TDO2ACP3CES2
SCHEMBL4083754 0.80 PGK1 (0.40) TSHR
SCHEMBL4601149 0.79 PNMT (0.55) PNMTIDO1TDO2ACP3CES2
SCHEMBL4139253 0.79 PNMT (0.55) PNMTIDO1TDO2ACP3CES2
SCHEMBL13855359 0.79 PNMT (0.47) PNMTIDO1TDO2ACP3CES2
SCHEMBL805257 0.79 PNMT (0.56) PNMTIDO1TDO2ACP3CES2
SCHEMBL27946000 0.77 PNMT (0.53) PNMTIDO1TDO2ACP3CES2
SCHEMBL27844705 0.76 ACP3 (0.42) PNMTIDO1TDO2ACP3CES2
SCHEMBL9563543 0.76 PNMT (0.42) PNMTIDO1TDO2ACP3CES2
SCHEMBL22193351 0.76 PNMT (0.61) PNMTIDO1TDO2ACP3CES2

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 PNMT 4587/4885IDO1 4304/4885TDO2 4836/4885

“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.