SCHEMBL6868488

SCHEMBL6868488

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.63
SLC6A4 P31645 4/20 0.63
SLC6A2 P23975 3/20 0.63
ADRA2C P18825 2/20 0.63
HTR2C P28335 2/20 0.63
OPRM1 P35372 2/20 0.63
DRD3 P35462 2/20 0.63
MLNR O43193 1/20 0.63
ABCB11 O95342 1/20 0.63
ADRB1 P08588 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
CYP2D6 P10635 1/20 0.63
CHRM1 P11229 1/20 0.63
DRD2 P14416 1/20 0.63
CHRM3 P20309 1/20 0.63
GLRA1 P23415 1/20 0.63
AVPR2 P30518 1/20 0.63
HRH1 P35367 1/20 0.63
MC3R P41968 1/20 0.63
HTT P42858 1/20 0.63

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
SCHEMBL1491267 1.00 CASR (0.63) CASRSLC6A4SLC6A2ADRA2CHTR2C
SCHEMBL1491263 1.00 CASR (0.63) CASRSLC6A4SLC6A2ADRA2CHTR2C
SCHEMBL6867802 0.89 CASR (0.65) CASRSLC6A4SLC6A2ADRA2CHTR2C
SCHEMBL6868109 0.87 CASR (0.63) CASRSLC6A4SLC6A2ADRA2CHTR2C
Hydrochloric Acid SCHEMBL1491244 0.86 CASR (0.64) CASRSLC6A4SLC6A2ADRA2CHTR2C
SCHEMBL6867188 0.84 CASR (0.45) CASRSLC6A4SLC6A2ADRA2CHTR2C
SCHEMBL16143095 0.81 SLC6A4 (0.56) CASRSLC6A4SLC6A2ADRA2CHTR2C
SCHEMBL17915496 0.79 CASR (0.87) CASRSLC6A4SLC6A2ADRA2CHTR2C
SCHEMBL17053439 0.79 CASR (0.87) CASRSLC6A4SLC6A2ADRA2CHTR2C
Cinacalcet SCHEMBL29373418 0.77 CASR (1.00) CASRSLC6A4SLC6A2ADRA2CHTR2C

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
US-8637708-B2 Process for preparing cinacalcet ZACH SYSTEM S.P.A. (IT) 2014-01-28 US disclosed
US-8637708-B2 Process for preparing cinacalcet ZACH SYSTEM S.P.A. (IT) 2014-01-28 US disclosed
EP-2475641-B1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM SPA (IT) 2013-11-06 EP disclosed
US-20120238778-A1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2012-09-20 US disclosed
US-20120238778-A1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2012-09-20 US disclosed
WO-2011029833-A1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2011-03-17 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-20120238778-A1 PROCESS FOR PREPARING CINACALCET CA9, PCSK9, REN CASR 975/4885SLC6A4 1392/4885SLC6A2 1346/4885

“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.