SCHEMBL2157688

SCHEMBL2157688

COc1ccc(CCN2CCC(CCOc3ccccc3F)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.68
HTR1A P08908 1/20 0.55
SLC6A4 P31645 1/20 0.55

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
SCHEMBL2157317 0.88 KCNH2 (0.55) KCNH2
SCHEMBL1332640 0.87 ABCB1 (0.55) KCNH2
SCHEMBL2157601 0.86 KCNH2 (0.61) KCNH2HTR1ASLC6A4
SCHEMBL2157731 0.86 SIGMAR1 (0.62) KCNH2
SCHEMBL1334381 0.85 KCNH2 (0.66) KCNH2HTR1ASLC6A4
SCHEMBL12165066 0.85 KCNH2 (0.51) KCNH2
SCHEMBL3841225 0.82 KCNH2 (0.57) KCNH2
SCHEMBL1334144 0.79 DRD2 (0.69) KCNH2SLC6A4
SCHEMBL1332035 0.79 ADRA1D (0.53) KCNH2HTR1ASLC6A4
SCHEMBL1332177 0.79 ABCB1 (0.60)

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 11 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
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 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
CN-101511187-A Piperidine and piperazine derivatives MS SCIENCE CORP (JP) 2009-08-19 CN disclosed
EP-1976525-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-07-15 EP disclosed
CN-101448503-A Piperidine and piperazine derivatives MS SCIENCE CORP (JP) 2009-06-03 CN disclosed
EP-1976525-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-08 EP 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 332/4885HTR1A 23/4885SLC6A4 424/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 KCNH2 360/4885HTR1A 50/4885SLC6A4 497/4885

“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.