SCHEMBL2157523

SCHEMBL2157523

O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCN(CCOc2ccccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.49
DRD3 P35462 4/20 0.48
ACHE P22303 1/20 0.48
HRH2 P25021 3/20 0.48
HRH1 P35367 3/20 0.48
CACNA1F O60840 2/20 0.48
DRD4 P21917 2/20 0.48
DRD5 P21918 2/20 0.48
ADRA1D P25100 2/20 0.48
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
HTR6 P50406 2/20 0.48
CACNA1D Q01668 2/20 0.48
SLC6A3 Q01959 2/20 0.48
CACNA1S Q13698 2/20 0.48

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
Hydrochloric Acid SCHEMBL2158399 0.99 KCNA5 (0.48) KCNA5DRD3ACHEHRH2HRH1
SCHEMBL2157502 0.94 DRD3 (0.51) KCNA5DRD3ACHEHRH2HRH1
SCHEMBL2157319 0.90 DRD3 (0.48) KCNA5DRD3ACHEHRH2HRH1
SCHEMBL2157220 0.90 HRH3 (0.53) KCNA5DRD3ACHEHRH2HRH1
SCHEMBL2157760 0.90 GAA (0.46) KCNA5DRD3NPC1GAARAB9A
SCHEMBL2158181 0.88 DRD3 (0.56) KCNA5DRD3ACHEHRH2HRH1
SCHEMBL2157404 0.87 HTR7 (0.52) DRD3HRH2HRH1CACNA1FDRD4
Hydrochloric Acid SCHEMBL5131275 0.87 DRD3 (0.55) KCNA5DRD3ACHEHRH2HRH1
SCHEMBL2157424 0.87 NPC1 (0.46) KCNA5DRD3HRH2HRH1CACNA1F
SCHEMBL2157646 0.86 NPC1 (0.49) KCNA5SLC6A3NPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US claimed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
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
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US disclosed
WO-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 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-20100137334-A1 Piperidine and Piperazine Derivatives SIGMAR1, OPRM1, OPRD1 KCNA5 273/4885DRD3 41/4885ACHE 539/4885

“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.