SCHEMBL2158157

SCHEMBL2158157

Clc1cccc(CCN2CCC(CCOc3ccccc3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.63
SIGMAR1 Q99720 3/20 0.55
TMEM97 Q5BJF2 2/20 0.55
HTR1A P08908 1/20 0.53
SLC6A4 P31645 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL1333250 0.88 KCNH2 (0.71) KCNH2SIGMAR1TMEM97DRD2HTR2A
SCHEMBL1334223 0.86 KCNH2 (0.66) KCNH2SIGMAR1TMEM97DRD2HTR2A
SCHEMBL1333820 0.86 HTR1A (0.71) KCNH2SIGMAR1HTR1ASLC6A4
SCHEMBL2157625 0.86 KCNH2 (0.63) KCNH2SIGMAR1TMEM97HTR1ASLC6A4
SCHEMBL4194933 0.85 KCNH2 (0.49) KCNH2HTR1ASLC6A4DRD2
SCHEMBL1334024 0.85 LMNA (0.69) KCNH2SIGMAR1TMEM97HTR1ASLC6A4
SCHEMBL1332018 0.84 KCNH2 (0.64) KCNH2SIGMAR1TMEM97LMNAHTT
SCHEMBL2157337 0.84 KCNH2 (0.60) KCNH2SIGMAR1TMEM97DRD2HTR2A
SCHEMBL2157270 0.81 DRD2 (0.55) KCNH2HTR1ASLC6A4DRD2
SCHEMBL1334144 0.80 DRD2 (0.69) KCNH2SIGMAR1SLC6A4DRD2HTR2A

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 6 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
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 (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 332/4885SIGMAR1 1/4885TMEM97 8/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 KCNH2 360/4885SIGMAR1 1/4885TMEM97 7/4885

“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.