SCHEMBL2158174

SCHEMBL2158174

O=C(CCCc1ccc2c(c1)OCCO2)N1CCN(CCOc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
DRD3 P35462 5/20 0.46
ADRA1A P35348 3/20 0.46
OPRM1 P35372 3/20 0.46
SLC6A3 Q01959 3/20 0.46
CACNA1F O60840 2/20 0.46
DRD4 P21917 2/20 0.46
DRD5 P21918 2/20 0.46
HRH2 P25021 2/20 0.46
ADRA1D P25100 2/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 2/20 0.46
HRH1 P35367 2/20 0.46
ADRA1B P35368 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
HTR6 P50406 2/20 0.46
CACNA1D Q01668 2/20 0.46
CACNA1S Q13698 2/20 0.46
CACNA1C Q13936 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
SCHEMBL2157436 0.84 ABCB1 (0.48) DRD3ADRA1AOPRM1SLC6A3CACNA1F
SCHEMBL2157385 0.83 MEN1 (0.51) TRPV1ADRA1AADRA1DADRA1BLMNA
SCHEMBL24893038 0.83 TRPV1 (0.61) TRPV1DRD3ADRA1AOPRM1SLC6A3
SCHEMBL7032760 0.82 LMNA (0.56) DRD3ADRA1AOPRM1SLC6A3LMNA
SCHEMBL7030072 0.82 DRD3 (0.63) DRD3ADRA1AOPRM1SLC6A3CACNA1F
SCHEMBL7032807 0.82 DRD3 (0.53) DRD3ADRA1AOPRM1SLC6A3CACNA1F
Hydrochloric Acid SCHEMBL2157325 0.82 CYP3A4 (0.56) DRD3ADRA1AOPRM1SLC6A3LMNA
Hydrochloric Acid SCHEMBL2157444 0.81 DRD3 (0.61) DRD3ADRA1AOPRM1SLC6A3CACNA1F
Hydrochloric Acid SCHEMBL2158183 0.81 DRD3 (0.52) DRD3ADRA1AOPRM1SLC6A3CACNA1F
SCHEMBL1333961 0.81 KCNH2 (0.54) ADRA1AADRA1DADRA1BLMNAMEN1

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 7 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
EP-1976525-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-07-15 EP disclosed
EP-1976525-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-08 EP 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 TRPV1 466/4885DRD3 41/4885ADRA1A 18/4885

“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.