SCHEMBL13889779

SCHEMBL13889779

C[C@@H](NCCCc1cccc(CF)c1)c1cccc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.73
ADRA2C P18825 2/20 0.73
SLC6A2 P23975 2/20 0.73
HTR2C P28335 2/20 0.73
SLC6A4 P31645 2/20 0.73
OPRM1 P35372 2/20 0.73
DRD3 P35462 2/20 0.73
MLNR O43193 1/20 0.73
ABCB11 O95342 1/20 0.73
ADRB1 P08588 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CYP2D6 P10635 1/20 0.73
CHRM1 P11229 1/20 0.73
DRD2 P14416 1/20 0.73
CHRM3 P20309 1/20 0.73
GLRA1 P23415 1/20 0.73
AVPR2 P30518 1/20 0.73
HRH1 P35367 1/20 0.73
MC3R P41968 1/20 0.73
HTT P42858 1/20 0.73

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
SCHEMBL14036495 1.00 CASR (0.73) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL7895914 0.89 CASR (0.71) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL6223352 0.87 CASR (0.71) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL7914573 0.86 CASR (0.71) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL4784909 0.86 CASR (0.71) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL6868490 0.86 CASR (0.71) CASRADRA2CSLC6A2HTR2CSLC6A4
Cinacalcet SCHEMBL30371982 0.84 CASR (1.00) CASRADRA2CSLC6A2HTR2CSLC6A4
Cinacalcet SCHEMBL71876 0.84 CASR (1.00) CASRADRA2CSLC6A2HTR2CSLC6A4
Cinacalcet SCHEMBL3227084 0.84 CASR (1.00) CASRADRA2CSLC6A2HTR2CSLC6A4
Cinacalcet SCHEMBL29360301 0.84 CASR (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093652-A1 Crystalline forms cinacalcet fumarate and cinacalcet succinate and processes for preparation thereof TEVA PHARMACEUTICALS USA, INC. 2009-04-09 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 (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-20090093652-A1 Crystalline forms cinacalcet fumarate and cinacalcet succinate and processes for preparation thereof SI, FH, CA4 CASR 183/4885ADRA2C 4016/4885SLC6A2 3388/4885

“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.