SCHEMBL2574601

SCHEMBL2574601

COc1ccc(CCN2CCC(CCNc3ccccc3OC(F)(F)F)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.52
EBP Q15125 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
TMEM97 Q5BJF2 1/20 0.48
HTR1A P08908 1/20 0.48
SLC6A4 P31645 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 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
SCHEMBL2574546 0.93 ABCB1 (0.56) ABCB1EBPSIGMAR1TMEM97HTR1A
SCHEMBL2575660 0.89 ABCB1 (0.52) ABCB1EBPSIGMAR1TMEM97HTR1A
SCHEMBL2158169 0.88 ABCB1 (0.53) ABCB1EBPSIGMAR1TMEM97HTR1A
SCHEMBL2574160 0.86 ABCB1 (0.53) ABCB1EBPSIGMAR1TMEM97HTR1A
SCHEMBL1334517 0.86 ABCB1 (0.60) ABCB1EBPSIGMAR1TMEM97HTR1A
SCHEMBL2567216 0.85 HTR1A (0.53) ABCB1HTR1ASLC6A4
SCHEMBL1333143 0.84 ABCB1 (0.53) ABCB1EBPSIGMAR1
SCHEMBL1332009 0.83 HTR1A (0.52) ABCB1EBPSIGMAR1TMEM97HTR1A
SCHEMBL1333252 0.82 ABCB1 (0.56) ABCB1EBPSIGMAR1TMEM97HTR1A
SCHEMBL1332760 0.81 HTR1A (0.50) ABCB1EBPSIGMAR1TMEM97HTR1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101511187-B Piperidine and piperazine derivatives MS SCIENCE CORP 2012-07-04 CN disclosed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
EP-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP disclosed
CN-101448503-B Piperidine and piperazine derivatives MS SCIENCE CORP 2011-04-13 CN disclosed
EP-1976525-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2010-11-03 EP disclosed
US-20100256162-A1 Piperazine and Piperidine Derivatives AGY THERAPEUTICS, INC. (US) 2010-10-07 US 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
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
WO-2008096189-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2008-08-14 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 486/4885EBP 1227/4885SIGMAR1 1/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 ABCB1 588/4885EBP 1097/4885SIGMAR1 1/4885

“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.