SCHEMBL2157673

SCHEMBL2157673

COc1ccc(CCCC(=O)N2CCN(CCOc3ccc(F)cc3F)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.51
SIGMAR1 Q99720 2/20 0.51
DRD2 P14416 5/20 0.49
CACNA1F O60840 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
HRH2 P25021 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR5A P47898 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL2157438 0.91 DRD3 (0.46) DRD3SIGMAR1CACNA1FDRD1DRD4
SCHEMBL2158498 0.90 SIGMAR1 (0.58) DRD3SIGMAR1DRD2CACNA1FDRD1
SCHEMBL2157289 0.89 DRD3 (0.47) DRD3SIGMAR1CACNA1FDRD1DRD4
SCHEMBL7030072 0.88 DRD3 (0.63) DRD3SIGMAR1DRD2CACNA1FDRD1
SCHEMBL2157909 0.88 KDM4E (0.47) DRD3SIGMAR1CACNA1FDRD1DRD4
Hydrochloric Acid SCHEMBL2157444 0.87 DRD3 (0.61) DRD3SIGMAR1DRD2CACNA1FDRD1
SCHEMBL2157487 0.86 ME2 (0.52) DRD3DRD2CACNA1FDRD4DRD5
SCHEMBL2157428 0.86 HTR2A (0.47) DRD3SIGMAR1DRD2CACNA1FDRD1
SCHEMBL7032807 0.84 DRD3 (0.53) DRD3DRD2CACNA1FDRD1DRD4
SCHEMBL2157386 0.83 HTR2A (0.47) DRD3CACNA1FDRD4DRD5HRH2

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 DRD3 41/4885SIGMAR1 1/4885DRD2 28/4885

“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.