SCHEMBL2864360

SCHEMBL2864360

CC(C)(CNC(=O)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12)N1CC=CCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
SSTR4 P31391 5/20 0.32
KDM4E B2RXH2 1/20 0.31
SSTR1 P30872 1/20 0.31

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
SCHEMBL2871625 0.83 NPSR1 (0.35) NPSR1SSTR4SSTR1
SCHEMBL2856576 0.82 NPSR1 (0.37) NPSR1POLB
SCHEMBL2868076 0.81 SMN1; SMN2 (0.37) NPSR1POLB
SCHEMBL2858492 0.81 NPSR1 (0.37) NPSR1KDM4E
SCHEMBL2867653 0.79 NPSR1 (0.36) NPSR1SSTR4
SCHEMBL2860998 0.78 NPSR1 (0.41) NPSR1POLBSSTR4
Hydrochloric Acid SCHEMBL2863761 0.77 NPSR1 (0.40) NPSR1KDM4E
SCHEMBL2865644 0.77 POLB (0.43) NPSR1POLBKDM4E
SCHEMBL2861714 0.76 NPSR1 (0.40) NPSR1POLBSSTR4
SCHEMBL2871600 0.76 ALDH1A1 (0.37) NPSR1POLB

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 NPSR1 211/4885POLB 3625/4885SSTR4 176/4885

“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.