SCHEMBL3976172

SCHEMBL3976172

N#Cc1ccc(OCCCN2CCN(CCOc3ccc(F)cc3F)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.57
HRH1 P35367 10/20 0.55
HRH2 P25021 9/20 0.55
MEN1 O00255 4/20 0.51
KMT2A Q03164 2/20 0.51
KCNH2 Q12809 1/20 0.50
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL1728913 0.96 HRH3 (0.51) HRH3HRH1HRH2MEN1KMT2A
SCHEMBL4178466 0.89 HRH1 (0.50) HRH3HRH1HRH2MEN1KMT2A
SCHEMBL4179888 0.88 HRH3 (0.60) HRH3HRH1HRH2MEN1KMT2A
SCHEMBL1730947 0.88 HRH3 (0.69) HRH3HRH1HRH2MEN1KMT2A
SCHEMBL14393462 0.85 HRH3 (0.57) HRH3HRH1HRH2MEN1KMT2A
SCHEMBL1730298 0.85 TBXAS1 (0.46) HRH1MEN1KMT2AKCNH2
SCHEMBL1730790 0.84 KCNA5 (0.58) HRH3HRH1HRH2MEN1KMT2A
Hydrochloric Acid SCHEMBL1726268 0.84 HRH3 (0.56) HRH3HRH1HRH2MEN1KMT2A
SCHEMBL4185349 0.84 LTA4H (0.55) HRH1MEN1KMT2AUSP2ALDH1A1
SCHEMBL1730302 0.84 LTA4H (0.63) HRH3HRH1HRH2MEN1KMT2A

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 5 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
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 295/4885HRH1 85/4885HRH2 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.