SCHEMBL2157259

SCHEMBL2157259

COCCOc1ccc(CCC(=O)N2CCN(CCOc3ccccc3F)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 2/20 0.53
ME1 P48163 2/20 0.53
ME3 Q16798 2/20 0.53
DRD3 P35462 10/20 0.49
KDM4E B2RXH2 1/20 0.48
DRD2 P14416 4/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
LTA4H P09960 1/20 0.47
KCNA5 P22460 2/20 0.46
TSHR P16473 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
CACNA1F O60840 1/20 0.45
HTR1A P08908 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
HRH2 P25021 1/20 0.45
ADRA1D P25100 1/20 0.45

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
SCHEMBL2157487 0.91 ME2 (0.52) ME2ME1ME3DRD3DRD2
SCHEMBL2157404 0.90 HTR7 (0.52) ME2ME1ME3DRD3KDM4E
SCHEMBL2157567 0.90 ME2 (0.58) ME2ME1ME3DRD3DRD2
SCHEMBL2157424 0.88 NPC1 (0.46) ME2ME1ME3DRD3KDM4E
SCHEMBL2158187 0.88 FAAH (0.46) ME2ME1ME3DRD3KDM4E
SCHEMBL2158498 0.85 SIGMAR1 (0.58) DRD3KDM4EDRD2NPC1GAA
SCHEMBL2157523 0.85 KCNA5 (0.49) DRD3KDM4EDRD2NPC1GAA
Hydrochloric Acid SCHEMBL2158399 0.85 KCNA5 (0.48) DRD3KDM4EDRD2NPC1GAA
SCHEMBL2157290 0.84 CACNA1F (0.53) DRD3KDM4EDRD2NPC1GAA
SCHEMBL2157304 0.84 NPC1 (0.48) DRD3KDM4ENPC1GAARAB9A

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 ME2 2253/4885ME1 2741/4885ME3 2357/4885

“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.