SCHEMBL2157386

SCHEMBL2157386

CC(C)COc1ccc(CCC(=O)N2CCN(CCOc3ccc(F)cc3F)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.47
DRD3 P35462 2/20 0.47
CACNA1F O60840 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
HRH2 P25021 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR7 P34969 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
ADRA1B P35368 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR6 P50406 1/20 0.47
CACNA1D Q01668 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CACNA1S Q13698 1/20 0.47

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
SCHEMBL2158187 0.91 FAAH (0.46) HTR2ADRD3CACNA1FHTR1AADORA3
SCHEMBL2157428 0.90 HTR2A (0.47) HTR2ADRD3CACNA1FHTR1AADORA3
SCHEMBL2157276 0.90 HTR2A (0.55) HTR2ADRD3CACNA1FHTR1AADORA3
SCHEMBL2157487 0.88 ME2 (0.52) HTR2ADRD3CACNA1FHTR1AADORA3
SCHEMBL2157373 0.88 CACNA1F (0.54) HTR2ADRD3CACNA1FHTR1AADORA3
SCHEMBL2157298 0.87 DRD3 (0.45) HTR2ADRD3CACNA1FHTR1AADORA3
SCHEMBL2157319 0.85 DRD3 (0.48) HTR2ADRD3CACNA1FHTR1AADORA3
SCHEMBL2158134 0.84 DRD3 (0.47) HTR2ADRD3CACNA1FHTR1AADORA3
SCHEMBL2157673 0.83 DRD3 (0.51) HTR2ADRD3CACNA1FDRD4DRD5
SCHEMBL2157384 0.83 CACNA1F (0.46) HTR2ADRD3CACNA1FHTR1AADORA3

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 HTR2A 42/4885DRD3 41/4885CACNA1F 760/4885

“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.