SCHEMBL1332151

SCHEMBL1332151

c1ccc(OCCC2CCN(CCc3ccc4c(c3)OCO4)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.54
ADRA1D P25100 3/20 0.52
ADRA1A P35348 3/20 0.52
ADRA1B P35368 3/20 0.52
HTR1A P08908 2/20 0.51
SLC6A4 P31645 2/20 0.51
MAOB P27338 1/20 0.50
SIGMAR1 Q99720 3/20 0.49
TMEM97 Q5BJF2 2/20 0.49
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 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
SCHEMBL2157132 0.89 HTR1A (0.50) KCNH2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL1332649 0.86 ADRA1D (0.60) KCNH2ADRA1DADRA1AADRA1BMAOB
SCHEMBL1332035 0.85 ADRA1D (0.53) KCNH2ADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL1333894 0.85 ADRA1D (0.59) KCNH2ADRA1DADRA1AADRA1BMAOB
SCHEMBL1333250 0.82 KCNH2 (0.71) KCNH2SIGMAR1TMEM97DRD2HTR2A
SCHEMBL1334361 0.82 HTR1A (0.55) KCNH2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL2157337 0.81 KCNH2 (0.60) KCNH2SIGMAR1TMEM97DRD2HTR2A
SCHEMBL8642297 0.80 TMEM97 (0.58) HTR1ASLC6A4MAOBSIGMAR1TMEM97
SCHEMBL1332744 0.80 KMT2A (0.60) KCNH2ADRA1DADRA1AADRA1BMAOB
SCHEMBL1334144 0.79 DRD2 (0.69) KCNH2SLC6A4SIGMAR1DRD2HTR2A

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 19 patents. 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
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
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
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-20100256162-A1 Piperazine and Piperidine Derivatives AGY THERAPEUTICS, INC. (US) 2010-10-07 US 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
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
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 (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 KCNH2 332/4885ADRA1D 19/4885ADRA1A 18/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 KCNH2 369/4885ADRA1D 50/4885ADRA1A 91/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 KCNH2 360/4885ADRA1D 62/4885ADRA1A 97/4885

“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.