SCHEMBL1332018

SCHEMBL1332018

FC(F)(F)c1cccc(CCN2CCC(CCOc3ccccc3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.64
MAOB P27338 1/20 0.55
SIGMAR1 Q99720 4/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
TMEM97 Q5BJF2 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH3 Q9Y5N1 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
SCHEMBL1333924 0.87 KCNH2 (0.65) KCNH2SIGMAR1DRD2HTR2AHTR2C
SCHEMBL1332739 0.87 KDM4E (0.67) KCNH2SIGMAR1DRD2KDM4EALDH1A1
SCHEMBL1334223 0.86 KCNH2 (0.66) KCNH2SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL1333259 0.86 KDM4E (0.65) KCNH2SIGMAR1DRD2KDM4EALDH1A1
SCHEMBL1333250 0.86 KCNH2 (0.71) KCNH2SIGMAR1DRD2HTR2AHTR2C
SCHEMBL1333820 0.84 HTR1A (0.71) KCNH2SIGMAR1
SCHEMBL2158157 0.84 KCNH2 (0.63) KCNH2SIGMAR1DRD2HTR2AHTR2C
SCHEMBL2157625 0.84 KCNH2 (0.63) KCNH2SIGMAR1TMEM97HRH3
SCHEMBL2157337 0.82 KCNH2 (0.60) KCNH2SIGMAR1DRD2HTR2AHTR2C
SCHEMBL7402917 0.81 TMEM97 (0.71) KCNH2MAOBSIGMAR1DRD2TMEM97

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 25 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-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
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 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-1976525-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-07-15 EP 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 KCNH2 332/4885MAOB 453/4885SIGMAR1 1/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 KCNH2 369/4885MAOB 643/4885SIGMAR1 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.