SCHEMBL2157291

SCHEMBL2157291

COc1ccc(CCN2CCN(CCOc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.69
LTA4H P09960 2/20 0.62
HRH3 Q9Y5N1 1/20 0.61
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
KCNH2 Q12809 2/20 0.56
DRD3 P35462 2/20 0.56
KCNJ1 P48048 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 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
SCHEMBL1334322 0.92 SIGMAR1 (0.61) SIGMAR1LTA4HHRH3USP2ALDH1A1
SCHEMBL7031381 0.91 ALDH1A1 (0.63) SIGMAR1LTA4HHRH3USP2ALDH1A1
Hydrochloric Acid SCHEMBL2158147 0.90 ALDH1A1 (0.61) SIGMAR1LTA4HHRH3USP2ALDH1A1
SCHEMBL1334145 0.87 SIGMAR1 (0.71) SIGMAR1LTA4HHRH3KCNH2DRD3
Hydrochloric Acid SCHEMBL1334031 0.86 SIGMAR1 (0.69) SIGMAR1LTA4HHRH3KCNH2DRD3
SCHEMBL7030939 0.86 LTA4H (0.57) LTA4HUSP2ALDH1A1HPGDKCNH2
SCHEMBL1334251 0.86 SIGMAR1 (0.56) SIGMAR1LTA4HALDH1A1ADRA1DADRA1A
SCHEMBL13150797 0.86 SIGMAR1 (0.72) SIGMAR1LTA4HHRH3KCNH2DRD3
SCHEMBL1334161 0.86 KCNH2 (0.66) SIGMAR1LTA4HHRH3KCNH2DRD3
SCHEMBL1334252 0.85 LTA4H (0.53) SIGMAR1LTA4HHRH3USP2ALDH1A1

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
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 SIGMAR1 1/4885LTA4H 2934/4885HRH3 158/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 SIGMAR1 1/4885LTA4H 3616/4885HRH3 126/4885

“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.