SCHEMBL2863242

SCHEMBL2863242

CCCN1CCN(C(=O)C2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N32)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.35
TP53 P04637 1/20 0.34
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GAA P10253 1/20 0.33
PARP1 P09874 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2870948 0.87 NPSR1 (0.39) NPSR1DRD2
Hydrochloric Acid SCHEMBL2868928 0.85 NPSR1 (0.41) NPSR1POLBSIGMAR1
SCHEMBL2861560 0.84 CCR1 (0.42) NPSR1L3MBTL1SIGMAR1PARP1SMN1; SMN2
SCHEMBL2863393 0.83 CHRM2 (0.41) NPSR1HSD17B10
SCHEMBL2862082 0.81 HTR4 (0.43) NPSR1POLBSIGMAR1
SCHEMBL2869042 0.81 KCNH2 (0.46) NPSR1CYP3A4
SCHEMBL2864626 0.79 KEAP1 (0.41) NPSR1POLBL3MBTL1TP53GAA
SCHEMBL2868696 0.78 SIGMAR1 (0.44) NPSR1POLBL3MBTL1SIGMAR1
SCHEMBL2868801 0.78 NPSR1 (0.39) NPSR1CYP3A4
SCHEMBL2858188 0.78 L3MBTL1 (0.44) NPSR1POLBHSD17B10L3MBTL1CYP3A4

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 HRH3 82/4885NPSR1 211/4885POLB 3625/4885

“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.