SCHEMBL1730771

SCHEMBL1730771

CC(C)(C)OC(=O)N1CCN(CCOc2ccc(F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.58
HRH1 P35367 2/20 0.58
KCNA5 P22460 1/20 0.57
DRD3 P35462 5/20 0.54
EPHX2 P34913 3/20 0.52
GPR4 P46093 1/20 0.52
LTA4H P09960 1/20 0.52
DRD2 P14416 2/20 0.52
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
SQOR Q9Y6N5 1/20 0.51
GPR119 Q8TDV5 1/20 0.49

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
SCHEMBL14453585 0.89 KCNA5 (0.62) HRH2HRH1KCNA5DRD3EPHX2
SCHEMBL19479118 0.89 DRD3 (0.70) HRH2HRH1KCNA5DRD3DRD2
SCHEMBL20423457 0.89 DRD3 (0.55) HRH2HRH1KCNA5DRD3EPHX2
SCHEMBL29716350 0.88 LTA4H (0.56) HRH2HRH1KCNA5DRD3EPHX2
SCHEMBL23301374 0.88 DRD3 (0.54) HRH2HRH1KCNA5DRD3EPHX2
SCHEMBL6034847 0.88 HRH2 (0.61) HRH2HRH1KCNA5DRD3EPHX2
SCHEMBL14453658 0.88 DRD3 (0.54) HRH2HRH1KCNA5DRD3EPHX2
SCHEMBL18135536 0.87 KCNA5 (0.64) KCNA5DRD3EPHX2LTA4HDRD2
SCHEMBL25747712 0.86 GPR4 (0.56) HRH2HRH1KCNA5DRD3EPHX2
SCHEMBL14453657 0.85 DRD3 (0.52) HRH2HRH1KCNA5DRD3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HRH2 113/4885HRH1 85/4885KCNA5 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.