SCHEMBL1332009

SCHEMBL1332009

COc1ccc(CCN2CCC(CCNc3ccc(F)cc3)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.52
SLC6A4 P31645 2/20 0.52
ABCB1 P08183 1/20 0.51
POLB P06746 1/20 0.48
EBP Q15125 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
TMEM97 Q5BJF2 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
SCHEMBL2574419 0.92 HTR1A (0.52) HTR1ASLC6A4ABCB1EBPSIGMAR1
SCHEMBL1333914 0.92 HTR1A (0.59) HTR1ASLC6A4ABCB1
SCHEMBL2569813 0.91 HTR1A (0.51) HTR1ASLC6A4ABCB1EBPSIGMAR1
SCHEMBL1332119 0.91 HTR1A (0.51) HTR1ASLC6A4ABCB1EBPSIGMAR1
SCHEMBL1334517 0.90 ABCB1 (0.60) HTR1ASLC6A4ABCB1EBPSIGMAR1
SCHEMBL1332760 0.90 HTR1A (0.50) HTR1ASLC6A4ABCB1EBPSIGMAR1
SCHEMBL2573352 0.89 HTR1A (0.49) HTR1ASLC6A4ABCB1EBPSIGMAR1
SCHEMBL1333252 0.89 ABCB1 (0.56) HTR1ASLC6A4ABCB1EBPSIGMAR1
SCHEMBL1333775 0.88 HTR1A (0.48) HTR1ASLC6A4ABCB1EBPSIGMAR1
SCHEMBL2567216 0.88 HTR1A (0.53) HTR1ASLC6A4ABCB1

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 9 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
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-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
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 (3 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 HTR1A 23/4885SLC6A4 424/4885ABCB1 486/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 49/4885SLC6A4 488/4885ABCB1 591/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 50/4885SLC6A4 497/4885ABCB1 588/4885

“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.