SCHEMBL1298962

SCHEMBL1298962

COc1cc(CCN2CCN(CCCc3ccccc3)CC2)cc(OC)c1OC

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.76
EBP Q15125 2/20 0.76
TMEM97 Q5BJF2 1/20 0.76
EBPL Q9BY08 1/20 0.70

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
Hydrochloric Acid SCHEMBL1298455 0.99 SIGMAR1 (0.74) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL1299566 0.90 SIGMAR1 (0.67) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL1299415 0.90 EBPL (0.68) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL1299551 0.90 SIGMAR1 (0.67) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL1298241 0.87 SIGMAR1 (0.73) SIGMAR1EBPTMEM97EBPL
[11C]Sa4503 SCHEMBL968642 0.86 SIGMAR1 (1.00) SIGMAR1EBPTMEM97EBPL
[11C]Sa4503 SCHEMBL29358558 0.86 SIGMAR1 (1.00) SIGMAR1EBPTMEM97EBPL
SCHEMBL11879869 0.85 HTR2A (0.56) SIGMAR1EBPTMEM97
Hydrochloric Acid SCHEMBL8088187 0.85 SIGMAR1 (0.97) SIGMAR1EBPTMEM97EBPL
[11C]Sa4503 SCHEMBL1299046 0.85 SIGMAR1 (0.97) SIGMAR1EBPTMEM97EBPL

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218205-A1 Piperazine derivatives M'S SCIENCE CORP. 2011-09-08 US claimed
US-20090143395-A1 Piperazine Derivatives SUN CONNIE L 2009-06-04 US claimed
EP-1931347-A2 PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-06-18 EP claimed
WO-2007021545-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-02-22 WO claimed
US-20110269775-A1 Piperazine derivatives M'S SCIENCE CORPORATION 2011-11-03 US disclosed
US-20110218205-A1 Piperazine derivatives M'S SCIENCE CORP. 2011-09-08 US disclosed
US-7985751-B2 Piperazine derivatives M'S SCIENCE CORPORATION (JP) 2011-07-26 US disclosed
US-20090143395-A1 Piperazine Derivatives SUN CONNIE L 2009-06-04 US disclosed
EP-1931347-A2 PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-06-18 EP disclosed
WO-2007021545-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-02-22 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 (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-20110269775-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885EBP 1084/4885TMEM97 6/4885
US-20090143395-A1 Piperazine Derivatives SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885EBP 1084/4885TMEM97 6/4885
US-20110218205-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRM1 SIGMAR1 1/4885EBP 1385/4885TMEM97 6/4885

“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.