SCHEMBL1333152

SCHEMBL1333152

COc1ccc(CCCN2CCN(CCOc3ccccc3)CC2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.73
EBP Q15125 2/20 0.73
TMEM97 Q5BJF2 1/20 0.73
EBPL Q9BY08 1/20 0.64
ABCB1 P08183 1/20 0.63
LTA4H P09960 1/20 0.57

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
SCHEMBL1332200 0.93 SIGMAR1 (0.69) SIGMAR1EBPTMEM97EBPLLTA4H
Hydrochloric Acid SCHEMBL1332118 0.91 SIGMAR1 (0.67) SIGMAR1EBPTMEM97EBPL
SCHEMBL1334005 0.88 EBP (0.60) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL8083210 0.87 SIGMAR1 (0.95) SIGMAR1EBPTMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL8075024 0.86 SIGMAR1 (0.92) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL1332692 0.86 SIGMAR1 (0.63) SIGMAR1EBPTMEM97EBPLLTA4H
SCHEMBL7030443 0.85 LMNA (0.56) SIGMAR1EBPTMEM97
[11C]Sa4503 SCHEMBL29358558 0.85 SIGMAR1 (1.00) SIGMAR1EBPTMEM97EBPLABCB1
[11C]Sa4503 SCHEMBL968642 0.85 SIGMAR1 (1.00) SIGMAR1EBPTMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL2158145 0.84 LMNA (0.58) SIGMAR1EBPTMEM97

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
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US claimed
EP-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP claimed
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 (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 SIGMAR1 1/4885EBP 1227/4885TMEM97 8/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 SIGMAR1 1/4885EBP 1047/4885TMEM97 7/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 SIGMAR1 1/4885EBP 1097/4885TMEM97 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.