SCHEMBL5582084

SCHEMBL5582084

CCC(C(=O)O)N1CCC(C(=O)C2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N32)CC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.31
XIAP P98170 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
SCHEMBL2866704 0.88 NPSR1 (0.38) NPSR1
SCHEMBL2870948 0.84 NPSR1 (0.39) NPSR1
SCHEMBL2871903 0.83 NPSR1 (0.40) NPSR1
Hydrochloric Acid SCHEMBL2865790 0.83 NPSR1 (0.39) NPSR1
SCHEMBL2869042 0.82 KCNH2 (0.46) NPSR1
SCHEMBL2870601 0.82 NPSR1 (0.39) NPSR1
SCHEMBL2868801 0.81 NPSR1 (0.39) NPSR1
SCHEMBL2856589 0.81 NPSR1 (0.39) NPSR1
SCHEMBL2861989 0.79 GPR119 (0.41) NPSR1
SCHEMBL2870931 0.78 HTT (0.42) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 NPSR1 211/4885HSD17B10 514/4885XIAP 4730/4885

“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.