SCHEMBL4236282

SCHEMBL4236282

CC(C)N1CCCC(Oc2cccc(C#N)c2)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.61
DRD3 P35462 4/20 0.61
HRH3 Q9Y5N1 5/20 0.51
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 2/20 0.50
MGLL Q99685 2/20 0.50
SLC6A4 P31645 1/20 0.50
HRH1 P35367 3/20 0.43
CCR3 P51677 3/20 0.43
PDE9A O76083 1/20 0.43
CHRM4 P08173 1/20 0.42

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
SCHEMBL3602591 0.85 HRH3 (0.71) DRD2DRD3HRH3SLC6A2SLC6A3
SCHEMBL4238759 0.85 HRH3 (0.71) DRD2DRD3HRH3PDE9A
SCHEMBL3608160 0.84 DRD3 (0.59) DRD2DRD3HRH3SLC6A2SLC6A3
SCHEMBL19575434 0.81 HRH3 (0.53) DRD2DRD3HRH3SLC6A2SLC6A3
SCHEMBL10169414 0.80 HRH3 (0.49) HRH3SLC6A2SLC6A3SLC6A4
SCHEMBL4237007 0.80 HRH3 (0.48) HRH3SLC6A2SLC6A3
SCHEMBL6496199 0.78 SLC6A2 (0.66) HRH3SLC6A2SLC6A3MGLLSLC6A4
SCHEMBL26049997 0.78 SLC6A2 (0.66) DRD2DRD3HRH3SLC6A2SLC6A3
SCHEMBL4440335 0.78 DRD3 (0.52) DRD2DRD3HRH3SLC6A2SLC6A3
SCHEMBL3289104 0.78 HRH3 (0.68) DRD2DRD3HRH3SLC6A2SLC6A3

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R DRD2 337/4885DRD3 384/4885HRH3 210/4885

“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.