SCHEMBL1728913

SCHEMBL1728913

N#Cc1ccc(OCCN2CCN(CCOc3ccc(F)cc3F)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.51
KCNA5 P22460 5/20 0.50
HRH2 P25021 4/20 0.49
HRH1 P35367 4/20 0.49
LTA4H P09960 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 2/20 0.46
KDM1A O60341 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3976172 0.96 HRH3 (0.57) HRH3HRH2HRH1MEN1KMT2A
SCHEMBL1730298 0.88 TBXAS1 (0.46) KCNA5HRH1LTA4HMEN1KMT2A
SCHEMBL1730790 0.87 KCNA5 (0.58) HRH3KCNA5HRH2HRH1LTA4H
SCHEMBL1730302 0.87 LTA4H (0.63) HRH3KCNA5HRH2HRH1LTA4H
SCHEMBL4178466 0.85 HRH1 (0.50) HRH3HRH2HRH1MEN1KMT2A
SCHEMBL4179888 0.84 HRH3 (0.60) HRH3KCNA5HRH2HRH1MEN1
SCHEMBL1730947 0.83 HRH3 (0.69) HRH3HRH2HRH1LTA4HMEN1
SCHEMBL4173098 0.82 LTA4H (0.59) HRH3LTA4HKDM1AKCNH2
SCHEMBL1714312 0.82 HRH3 (0.71) HRH3KCNA5HRH2HRH1KCNH2
SCHEMBL14393462 0.80 HRH3 (0.57) HRH3HRH2HRH1MEN1KMT2A

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-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 US claimed
EP-1988902-B1 PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-23 EP disclosed
US-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 US disclosed
EP-1988902-A4 PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-05-06 EP disclosed
EP-1988902-A2 PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-11-12 EP disclosed
WO-2007097871-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-30 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 (1 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-20090221607-A1 Piperazine Derivatives SIGMAR1, OPRL1, OPRK1 HRH3 295/4885KCNA5 555/4885HRH2 113/4885

“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.