SCHEMBL718753

SCHEMBL718753

[N]CCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
NQO2 P16083 1/20 0.53
CYP2D6 P10635 2/20 0.50
MTNR1A P48039 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
ACP3 P15309 1/20 0.47
SLC18A2 Q05940 1/20 0.45
DAO P14920 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 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
SCHEMBL3047898 0.85 CYP1A2 (0.62) CYP1A2CYP2C19CYP2C9NQO2CYP2D6
SCHEMBL5830948 0.81 GPR84 (0.59) CYP1A2CYP2C19CYP2C9NQO2CYP2D6
SCHEMBL9800436 0.81 CYP1A2 (0.58) CYP1A2CYP2C19CYP2C9NQO2CYP2D6
SCHEMBL780469 0.77 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9NQO2CYP2D6
SCHEMBL128331 0.77 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9NQO2CYP2D6
SCHEMBL134400 0.77 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9NQO2CYP2D6
SCHEMBL2165102 0.77 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9NQO2CYP2D6
SCHEMBL5254582 0.77 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9NQO2CYP2D6
SCHEMBL27549 0.77 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9NQO2CYP2D6
SCHEMBL134399 0.77 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9NQO2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54005957-A None JP disclosed
US-8575393-B2 Process for the preparation of cinacalcet and salts thereof, and intermediates for use in the process CIPLA LIMITED (IN) 2013-11-05 US disclosed
US-20120053362-A1 Process for the Preparation of Cinacalcet and Salts Thereof, and Intermediates for Use in the Process CIPLA LIMITED (IN) 2012-03-01 US disclosed
EP-2403823-A2 PROCESS FOR THE PREPARATION OF CINACALCET AND SALTS THEREOF, AND INTERMEDIATES FOR USE IN THE PROCESS Cipla Limited (IN) 2012-01-11 EP disclosed
WO-2010100429-A1 PROCESS FOR THE PREPARATION OF CINACALCET AND SALTS THEREOF, AND INTERMEDIATES FOR USE IN THE PROCESS CIPLA LIMITED (IN) 2010-09-10 WO disclosed
JP-S545957-A RACEMIZATION OF OPTICAL ACTIVE ALPHA-NAPHTHYLETHYLAMINE SUMITOMO CHEM CO LTD 1979-01-17 JP 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-20120053362-A1 Process for the Preparation of Cinacalcet and Salts Thereof, and Intermediates for Use in the Process CA4, CA9, SLC28A1 CYP1A2 779/4885CYP2C19 262/4885CYP2C9 192/4885

“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.