SCHEMBL1730302

SCHEMBL1730302

N#Cc1ccc(OCCN2CCN(CCOc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.63
HRH3 Q9Y5N1 8/20 0.61
KCNA5 P22460 5/20 0.59
HRH1 P35367 5/20 0.58
HRH2 P25021 4/20 0.58
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
DRD3 P35462 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL1730947 0.96 HRH3 (0.69) LTA4HHRH3HRH1HRH2USP2
SCHEMBL1714312 0.92 HRH3 (0.71) HRH3KCNA5HRH1HRH2
SCHEMBL1730306 0.88 LTA4H (0.77) LTA4HHRH3KCNA5HRH1HRH2
SCHEMBL5623066 0.87 HRH3 (0.79) HRH3KCNA5HRH1HRH2MEN1
SCHEMBL1728913 0.87 HRH3 (0.51) LTA4HHRH3KCNA5HRH1HRH2
SCHEMBL1730425 0.86 LTA4H (0.55) LTA4HHRH3KCNA5HRH1HRH2
SCHEMBL1730790 0.86 KCNA5 (0.58) LTA4HHRH3KCNA5HRH1HRH2
SCHEMBL4874490 0.85 HRH3 (0.82) LTA4HHRH3KCNA5HRH1HRH2
SCHEMBL227297 0.84 HRH3 (0.85) LTA4HHRH3HRH1HRH2
SCHEMBL3976172 0.84 HRH3 (0.57) HRH3HRH1HRH2USP2ALDH1A1

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 LTA4H 2891/4885HRH3 295/4885KCNA5 555/4885

“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.