SCHEMBL4026841

SCHEMBL4026841

CC(C)(C)OCCOc1ccc(N)nn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.40
MCHR1 Q99705 4/20 0.34
NPY5R Q15761 1/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NCF1 P14598 9/20 0.32
GRM4 Q14833 1/20 0.31
CYBB P04839 1/20 0.30
NOX5 Q96PH1 1/20 0.30
NUDT1 P36639 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
SCHEMBL13750579 0.81 NPC1 (0.36) NPY5RLMNAGAA
SCHEMBL2947144 0.78 MCHR1 (0.47) BCAT2MCHR1HPGDMAPK1LMNA
SCHEMBL13729533 0.77 NPY5R (0.33) NPY5RLMNAGAA
SCHEMBL25318049 0.76 NCF1 (0.41) BCAT2NCF1CYBBNOX5
SCHEMBL18291611 0.74 HTR7 (0.46) BCAT2NCF1CYBB
SCHEMBL31206831 0.74 BCAT2 (0.47) BCAT2MCHR1HPGDMAPK1LMNA
SCHEMBL2349832 0.74 BCAT2 (0.47) BCAT2MCHR1HPGDMAPK1LMNA
SCHEMBL24702303 0.72 NPY5R (0.36) NPY5RGRM4
SCHEMBL18291610 0.71 PDK2 (0.42) BCAT2MAPK1GAANCF1CYBB
SCHEMBL31201204 0.71 NUDT1 (0.63) GRM4NUDT1

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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R BCAT2 685/4885MCHR1 51/4885NPY5R 3/4885

“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.