SCHEMBL3679527

SCHEMBL3679527

OC#CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.51
ACP3 P15309 1/20 0.51
IDO1 P14902 2/20 0.50
MIF P14174 2/20 0.50
HTR2A P28223 2/20 0.49
HTR2B P41595 2/20 0.49
HTR2C P28335 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.44
GRIN2B Q13224 1/20 0.44
EPHX1 P07099 1/20 0.44
MAOB P27338 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL5541075 0.82 TAAR1 (0.51) TAAR1ACP3IDO1MIFHTR2A
SCHEMBL38024 0.78 TAAR1 (0.55) TAAR1ACP3IDO1MIFHTR2A
SCHEMBL3208460 0.78 TAAR1 (0.55) TAAR1ACP3IDO1MIFHTR2A
SCHEMBL1758495 0.78 TAAR1 (0.59) TAAR1ACP3IDO1MIFHTR2A
SCHEMBL3636560 0.78 MIF (0.62) TAAR1ACP3IDO1MIFHTR2A
SCHEMBL30096354 0.78 TAAR1 (0.55) TAAR1ACP3IDO1MIFHTR2A
SCHEMBL8700239 0.77 MIF (0.53) TAAR1ACP3IDO1MIFHTR2A
SCHEMBL2257 0.75 TAAR1 (0.60) TAAR1ACP3IDO1MIFHTR2A
SCHEMBL5103155 0.74 TAAR1 (0.64) TAAR1ACP3IDO1MIFHTR2A
SCHEMBL3237564 0.74 TAAR1 (0.64) TAAR1ACP3IDO1MIFHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267988-A1 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF CINACALCET MEDICHEM, S.A. (ES) 2010-10-21 US disclosed
EP-2041056-A2 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF CINACALCET Medichem, S.A. (ES) 2009-04-01 EP disclosed
WO-2008035212-A2 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF CINACALCET MEDICHEM, S.A. (US) 2008-03-27 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-20100267988-A1 PROCESSES FOR PREPARING INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF CINACALCET SI, KRAS, PREP TAAR1 4657/4885ACP3 568/4885IDO1 2463/4885

“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.