SCHEMBL4022011

SCHEMBL4022011

O=C1OC2(CCC(CNc3ccc(-c4cc(F)ccc4F)nn3)CC2)CN1c1cccnn1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 19/20 0.84
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL4022013 1.00 NPY5R (0.84) NPY5RCHRM2CHRM4CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4101739 0.99 NPY5R (0.82) NPY5RCHRM2CHRM4CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4101742 0.99 NPY5R (0.82) NPY5RCHRM2CHRM4CYP3A4CYP2D6
SCHEMBL4021930 0.91 NPY5R (1.00) NPY5R
SCHEMBL4021934 0.91 NPY5R (1.00) NPY5R
Hydrochloric Acid SCHEMBL4099895 0.90 NPY5R (0.98) NPY5R
Hydrochloric Acid SCHEMBL4099894 0.90 NPY5R (0.98) NPY5R
SCHEMBL4099793 0.89 NPY5R (0.88) NPY5RCHRM4
SCHEMBL4021603 0.89 NPY5R (0.89) NPY5R
SCHEMBL4099790 0.89 NPY5R (0.88) NPY5RCHRM4

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 3/4885CHRM2 407/4885CHRM4 226/4885

“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.