SCHEMBL1334161

SCHEMBL1334161

Fc1ccc(CCN2CCN(CCOc3ccccc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.66
SLC6A4 P31645 1/20 0.63
SLC6A3 Q01959 1/20 0.63
LTA4H P09960 6/20 0.62
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
HTR2A P28223 1/20 0.57
HRH1 P35367 1/20 0.57
DRD3 P35462 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL1334087 0.89 LTA4H (0.71) KCNH2SLC6A3LTA4HTMEM97SIGMAR1
Hydrochloric Acid SCHEMBL1334253 0.88 KCNH2 (0.73) KCNH2LTA4HTMEM97SIGMAR1HRH3
SCHEMBL7031231 0.86 SIGMAR1 (0.68) KCNH2SLC6A4SLC6A3LTA4HHTR1A
SCHEMBL2157291 0.86 SIGMAR1 (0.69) KCNH2LTA4HDRD3SIGMAR1HRH3
SCHEMBL7030939 0.86 LTA4H (0.57) KCNH2SLC6A4SLC6A3LTA4H
Hydrochloric Acid SCHEMBL2157427 0.85 KCNH2 (0.58) KCNH2LTA4H
SCHEMBL1333925 0.85 KCNH2 (0.58) KCNH2LTA4HTMEM97SIGMAR1
SCHEMBL1332021 0.85 KCNH2 (0.64) KCNH2SLC6A4SLC6A3LTA4HDRD2
SCHEMBL1332740 0.85 L3MBTL1 (0.65) KCNH2LTA4HDRD2DRD3
Hydrochloric Acid SCHEMBL2157442 0.85 ALDH1A1 (0.69) KCNH2SLC6A4SLC6A3LTA4HHTR1A

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 7 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
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US 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-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US 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 332/4885SLC6A4 424/4885SLC6A3 338/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 KCNH2 369/4885SLC6A4 488/4885SLC6A3 291/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 KCNH2 360/4885SLC6A4 497/4885SLC6A3 294/4885

“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.