SCHEMBL2157301

SCHEMBL2157301

Fc1ccc(OCCN2CCN(CCc3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
KCNH2 Q12809 2/20 0.53
KCNA5 P22460 2/20 0.51
MCHR1 Q99705 1/20 0.51
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
SLC6A4 P31645 4/20 0.49
SLC6A3 Q01959 4/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1334388 0.92 ALDH1A1 (0.54) LTA4HKCNH2KCNA5MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL2158155 0.91 ALDH1A1 (0.53) LTA4HKCNH2KCNA5MCHR1ALDH1A1
SCHEMBL2158179 0.90 KCNH2 (0.64) LTA4HKCNH2KCNA5
SCHEMBL2157439 0.87 KCNH2 (0.57) KCNH2
SCHEMBL2157359 0.86 KCNH2 (0.61) LTA4HKCNH2KCNA5ALDH1A1SLC6A4
SCHEMBL2158181 0.85 DRD3 (0.56) LTA4HKCNA5MCHR1SLC6A3
Hydrochloric Acid SCHEMBL5131275 0.84 DRD3 (0.55) KCNA5MCHR1SLC6A3LMNA
SCHEMBL7030939 0.84 LTA4H (0.57) LTA4HKCNH2MCHR1ALDH1A1USP2
SCHEMBL2157291 0.84 SIGMAR1 (0.69) LTA4HKCNH2ALDH1A1USP2HPGD
SCHEMBL1334161 0.83 KCNH2 (0.66) LTA4HKCNH2SLC6A4SLC6A3

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
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-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 LTA4H 2934/4885KCNH2 332/4885KCNA5 273/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 LTA4H 3616/4885KCNH2 360/4885KCNA5 307/4885

“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.