SCHEMBL2157404

SCHEMBL2157404

CCOc1ccc(CCC(=O)N2CCN(CCOc3ccccc3F)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.52
ADORA3 P0DMS8 3/20 0.52
HTR2A P28223 3/20 0.52
OPRM1 P35372 3/20 0.52
SIGMAR1 Q99720 2/20 0.52
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
DRD3 P35462 5/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47
HTR1A P08908 2/20 0.46
CACNA1F O60840 2/20 0.46
DRD5 P21918 2/20 0.46
HRH2 P25021 2/20 0.46
ADRA1D P25100 2/20 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
SCHEMBL2157259 0.90 ME2 (0.53) HTR7ADORA3HTR2AOPRM1SIGMAR1
SCHEMBL2157428 0.90 HTR2A (0.47) HTR7ADORA3HTR2AOPRM1SIGMAR1
SCHEMBL2158187 0.89 FAAH (0.46) HTR7ADORA3HTR2AOPRM1SIGMAR1
SCHEMBL2157424 0.89 NPC1 (0.46) HTR7ADORA3HTR2AOPRM1SIGMAR1
SCHEMBL2158150 0.89 DRD3 (0.56) HTR7ADORA3HTR2AOPRM1SIGMAR1
SCHEMBL2157523 0.87 KCNA5 (0.49) HTR7ADORA3HTR2AOPRM1SIGMAR1
Hydrochloric Acid SCHEMBL2158399 0.86 KCNA5 (0.48) HTR7ADORA3HTR2AOPRM1SIGMAR1
SCHEMBL2157304 0.86 NPC1 (0.48) HTR7ADORA3HTR2AOPRM1SIGMAR1
SCHEMBL2157290 0.86 CACNA1F (0.53) HTR7ADORA3HTR2AOPRM1SIGMAR1
SCHEMBL2158498 0.85 SIGMAR1 (0.58) HTR7HTR2AOPRM1SIGMAR1KDM4E

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 HTR7 200/4885ADORA3 76/4885HTR2A 42/4885

“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.