SCHEMBL4021836

SCHEMBL4021836

O=C1OC2(CCC(CNc3ccc(-c4cccc(C(F)(F)F)c4)nn3)CC2)CN1c1cccnn1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 19/20 0.76
PIM1 P11309 1/20 0.41
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4021840 1.00 NPY5R (0.76) NPY5RPIM1ADRA1AKCNH2
Hydrochloric Acid SCHEMBL4095068 0.99 NPY5R (0.75) NPY5RPIM1ADRA1AKCNH2
Hydrochloric Acid SCHEMBL4095070 0.99 NPY5R (0.75) NPY5RPIM1ADRA1AKCNH2
SCHEMBL4020175 0.94 NPY5R (0.81) NPY5R
SCHEMBL4020172 0.94 NPY5R (0.81) NPY5R
Hydrochloric Acid SCHEMBL4094441 0.93 NPY5R (0.80) NPY5R
Hydrochloric Acid SCHEMBL4094439 0.93 NPY5R (0.80) NPY5R
SCHEMBL4099790 0.90 NPY5R (0.88) NPY5R
SCHEMBL4099793 0.90 NPY5R (0.88) NPY5R
Hydrochloric Acid SCHEMBL4095798 0.89 NPY5R (0.87) NPY5R

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
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO claimed
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

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 NPY5R 3/4885PIM1 4535/4885ADRA1A 335/4885

“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.