SCHEMBL1334145

SCHEMBL1334145

COc1ccc(CCN2CCN(CCOc3ccccc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.71
LTA4H P09960 3/20 0.65
KCNH2 Q12809 1/20 0.64
HRH3 Q9Y5N1 1/20 0.63
DRD3 P35462 2/20 0.63
KCNA5 P22460 2/20 0.63
DRD2 P14416 1/20 0.63
SMPD1 P17405 1/20 0.60

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 SCHEMBL1334031 0.99 SIGMAR1 (0.69) SIGMAR1LTA4HKCNH2HRH3DRD3
SCHEMBL13150797 0.96 SIGMAR1 (0.72) SIGMAR1LTA4HKCNH2HRH3DRD3
SCHEMBL13150791 0.91 DRD3 (0.72) LTA4HDRD3KCNA5DRD2
SCHEMBL13150788 0.88 SIGMAR1 (0.88) SIGMAR1KCNH2HRH3SMPD1
SCHEMBL1334087 0.88 LTA4H (0.71) SIGMAR1LTA4HKCNH2HRH3
SCHEMBL2157291 0.87 SIGMAR1 (0.69) SIGMAR1LTA4HKCNH2HRH3DRD3
Hydrochloric Acid SCHEMBL1334253 0.86 KCNH2 (0.73) SIGMAR1LTA4HKCNH2HRH3
SCHEMBL1333781 0.86 SIGMAR1 (0.78) SIGMAR1LTA4HKCNH2HRH3
SCHEMBL1334138 0.85 LTA4H (0.60) SIGMAR1LTA4HKCNH2HRH3
Hydrochloric Acid SCHEMBL1333229 0.85 SIGMAR1 (0.76) SIGMAR1LTA4HKCNH2HRH3

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101511187-B Piperidine and piperazine derivatives MS SCIENCE CORP 2012-07-04 CN claimed
EP-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP claimed
US-20100256162-A1 Piperazine and Piperidine Derivatives AGY THERAPEUTICS, INC. (US) 2010-10-07 US claimed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US claimed
EP-1978959-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-09-02 EP claimed
EP-1976525-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-07-15 EP claimed
EP-1978959-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-15 EP claimed
EP-1976525-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-08 EP claimed
WO-2008096189-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2008-08-14 WO claimed
WO-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 WO claimed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
CN-101511187-B Piperidine and piperazine derivatives MS SCIENCE CORP 2012-07-04 CN disclosed
WO-2008096189-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2008-08-14 WO disclosed
WO-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 WO disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 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 (4 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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 SIGMAR1 251/4885LTA4H 3316/4885KCNH2 87/4885
US-20100137334-A1 Piperidine and Piperazine Derivatives SIGMAR1, OPRM1, OPRD1 SIGMAR1 1/4885LTA4H 2934/4885KCNH2 332/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 SIGMAR1 251/4885LTA4H 3316/4885KCNH2 87/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 SIGMAR1 1/4885LTA4H 3616/4885KCNH2 360/4885

“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.