SCHEMBL2158117

SCHEMBL2158117

O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(CCOc2ccc(F)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
EPHX2 P34913 4/20 0.48
PANK3 Q9H999 2/20 0.47
KCNA5 P22460 2/20 0.47
DRD3 P35462 1/20 0.46
NTRK1 P04629 3/20 0.44
KCNH2 Q12809 3/20 0.44
NTRK2 Q16620 2/20 0.44
NTRK3 Q16288 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL2157319 0.90 DRD3 (0.48) HRH3EPHX2KCNA5DRD3HRH2
SCHEMBL2157220 0.90 HRH3 (0.53) HRH3EPHX2PANK3KCNA5DRD3
SCHEMBL2157289 0.89 DRD3 (0.47) EPHX2KCNA5DRD3KCNH2HRH2
SCHEMBL2157561 0.88 KCNA5 (0.57) HRH3EPHX2PANK3KCNA5DRD3
SCHEMBL2157592 0.87 POLB (0.45) KCNH2L3MBTL1POLB
SCHEMBL2158392 0.82 SIGMAR1 (0.43) EPHX2KCNA5DRD3HRH2HRH1
SCHEMBL2157523 0.80 KCNA5 (0.49) EPHX2KCNA5DRD3HRH2HRH1
Hydrochloric Acid SCHEMBL2158399 0.80 KCNA5 (0.48) HRH3EPHX2KCNA5DRD3KCNH2
SCHEMBL2157515 0.79 EPHX2 (0.44) EPHX2DRD3KCNH2HRH2HRH1
SCHEMBL2157502 0.79 DRD3 (0.51) EPHX2KCNA5DRD3HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed
EP-1976525-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2010-11-03 EP disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 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-20100137334-A1 Piperidine and Piperazine Derivatives SIGMAR1, OPRM1, OPRD1 HRH3 158/4885EPHX2 2613/4885PANK3 3368/4885

“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.