SCHEMBL1333853

SCHEMBL1333853

COc1ccc(CCN2CCC(CCOc3ccccc3Cl)CC2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
SIGMAR1 Q99720 3/20 0.54
EBP Q15125 2/20 0.52
TMEM97 Q5BJF2 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52

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
SCHEMBL1332177 0.92 ABCB1 (0.60) ABCB1DRD2DRD4SIGMAR1EBP
SCHEMBL1332640 0.88 ABCB1 (0.55) ABCB1DRD2DRD4SIGMAR1EBP
SCHEMBL7030738 0.87 SIGMAR1 (0.61) SIGMAR1EBPTMEM97ADRA1DADRA1A
SCHEMBL1332075 0.86 ABCB1 (0.61) ABCB1DRD2DRD4SIGMAR1EBP
Hydrochloric Acid SCHEMBL1332727 0.86 SIGMAR1 (0.60) SIGMAR1EBPTMEM97ADRA1DADRA1A
SCHEMBL1333878 0.86 ABCB1 (0.53) ABCB1DRD2DRD4SIGMAR1EBP
SCHEMBL1333143 0.86 ABCB1 (0.53) ABCB1DRD2DRD4SIGMAR1EBP
SCHEMBL1333938 0.85 HTR1A (0.58) ABCB1DRD2DRD4
SCHEMBL2157270 0.85 DRD2 (0.55) DRD2DRD4
SCHEMBL1333268 0.84 HTR1A (0.55) ABCB1DRD2DRD4

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US claimed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US disclosed
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US disclosed
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US disclosed
EP-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP disclosed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US disclosed
EP-1978959-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-09-02 EP disclosed
CN-101511187-A Piperidine and piperazine derivatives MS SCIENCE CORP (JP) 2009-08-19 CN disclosed
EP-1976525-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-07-15 EP disclosed
CN-101448503-A Piperidine and piperazine derivatives MS SCIENCE CORP (JP) 2009-06-03 CN disclosed
EP-1978959-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-15 EP disclosed
EP-1976525-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-08 EP disclosed
WO-2008096189-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2008-08-14 WO disclosed
WO-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 WO 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 (2 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 ABCB1 486/4885DRD2 28/4885DRD4 66/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 ABCB1 591/4885DRD2 17/4885DRD4 46/4885

“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.