SCHEMBL2861357

SCHEMBL2861357

O=C(NCCN(C1CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CNCC2C(=O)OC(c3cccc(F)c3)(c3cccc(F)c3)N12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
EPHX2 P34913 1/20 0.30
KCNN4 O15554 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2865656 0.93 NPY5R (0.33) NPY5RALDH1A1MAPTEPHX2KMT2A
SCHEMBL2862859 0.82 HTR2A (0.33) NPY5RALDH1A1MAPTEPHX2KMT2A
SCHEMBL2864645 0.81 KDM4E (0.32) NPY5RALDH1A1MAPTEPHX2KMT2A
SCHEMBL2861354 0.75 NPSR1 (0.49) ALDH1A1MAPTHTTKCNN4KMT2A
Hydrochloric Acid SCHEMBL2861673 0.75 NPSR1 (0.35) ALDH1A1MAPTKCNN4KMT2A
SCHEMBL2862002 0.72 CACNA1G (0.42) KMT2A
SCHEMBL2856685 0.72 NPSR1 (0.49) ALDH1A1KCNN4KMT2A
Hydrochloric Acid SCHEMBL2869159 0.71 NPSR1 (0.35) ALDH1A1MAPTKMT2A
SCHEMBL2864543 0.70 POLB (0.38) KCNN4KMT2A
SCHEMBL2869730 0.69 SIGMAR1 (0.43) ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 NPY5R 339/4885ALDH1A1 2926/4885MAPT 4830/4885

“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.