SCHEMBL2158179

SCHEMBL2158179

FC(F)(F)Oc1ccc(CCN2CCN(CCOc3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.64
LTA4H P09960 7/20 0.60
KCNA5 P22460 2/20 0.60
ACHE P22303 1/20 0.54
HRH3 Q9Y5N1 1/20 0.52
DRD3 P35462 1/20 0.51

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
SCHEMBL2157301 0.90 LTA4H (0.55) KCNH2LTA4HKCNA5
SCHEMBL1332050 0.87 KCNH2 (0.64) KCNH2LTA4HKCNA5
SCHEMBL2158413 0.87 KCNH2 (0.67) KCNH2
SCHEMBL2157359 0.86 KCNH2 (0.61) KCNH2LTA4HKCNA5HRH3
SCHEMBL1332740 0.85 L3MBTL1 (0.65) KCNH2LTA4HDRD3
SCHEMBL1334087 0.84 LTA4H (0.71) KCNH2LTA4HHRH3
SCHEMBL1334161 0.83 KCNH2 (0.66) KCNH2LTA4HHRH3DRD3
Hydrochloric Acid SCHEMBL1334253 0.83 KCNH2 (0.73) KCNH2LTA4HHRH3
SCHEMBL1334145 0.82 SIGMAR1 (0.71) KCNH2LTA4HKCNA5HRH3DRD3
SCHEMBL1334388 0.82 ALDH1A1 (0.54) KCNH2LTA4HKCNA5HRH3DRD3

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-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
EP-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP 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-20100256162-A1 Piperazine and Piperidine Derivatives AGY THERAPEUTICS, INC. (US) 2010-10-07 US 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 (2 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 KCNH2 332/4885LTA4H 2934/4885KCNA5 273/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 KCNH2 360/4885LTA4H 3616/4885KCNA5 307/4885

“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.