SCHEMBL9989291

SCHEMBL9989291

FC(F)(F)c1cccc(CCCNCCCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
SIGMAR1 Q99720 5/20 0.57
CYP2D6 P10635 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HTR2C P28335 3/20 0.54
ADRA2C P18825 2/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
OPRM1 P35372 2/20 0.54
DRD3 P35462 2/20 0.54
CASR P41180 2/20 0.54
ADRB1 P08588 2/20 0.54
MLNR O43193 1/20 0.54
ABCB11 O95342 1/20 0.54

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
SCHEMBL8092954 0.95 SIGMAR1 (0.64) TAAR1SIGMAR1CYP2D6TP53CYP1A2
SCHEMBL6265706 0.86 SIGMAR1 (0.58) TAAR1SIGMAR1CYP2D6TP53CYP1A2
SCHEMBL5535930 0.85 TAAR1 (0.53) TAAR1SIGMAR1CYP2D6TP53CYP1A2
SCHEMBL16212524 0.84 ADRA2C (0.60) TAAR1SIGMAR1CYP2D6TP53CYP1A2
SCHEMBL12521121 0.83 SCN8A (0.54) TAAR1SIGMAR1CYP2D6TP53CYP1A2
Hydrochloric Acid SCHEMBL1504932 0.83 SIGMAR1 (0.60) TAAR1SIGMAR1CYP2D6TP53CYP1A2
SCHEMBL5535926 0.82 TAAR1 (0.53) TAAR1SIGMAR1CYP2D6TP53CYP1A2
SCHEMBL11383498 0.81 TAAR1 (0.65) TAAR1SIGMAR1CYP2D6TP53CYP1A2
SCHEMBL10562876 0.81 TAAR1 (0.56) TAAR1SIGMAR1CYP2D6TP53CYP1A2
SCHEMBL5540234 0.81 HDAC1 (0.54) TAAR1SIGMAR1CYP2D6TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575395-B2 Method for the preparation of cinacalcet and intermediates and impurities thereof Amneal Pharmaceuticals, LLC (US) 2013-11-05 US disclosed
US-20110319663-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof Amneal Pharmaceuticals, LLC (US) 2011-12-29 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-20110319663-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof CMA1, SI, ALDH1A1 TAAR1 1331/4885SIGMAR1 383/4885CYP2D6 748/4885

“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.