SCHEMBL3777294

SCHEMBL3777294

CCN(C(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)nc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
ADORA2A P29274 4/20 0.43
HSD17B10 Q99714 1/20 0.40
HSD11B1 P28845 1/20 0.39

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
SCHEMBL3760828 0.89 HRH3 (0.49) HRH3SLC6A9SLC6A5HSD17B10
SCHEMBL3768093 0.86 HRH3 (0.46) HRH3SLC6A9SLC6A5HSD11B1
SCHEMBL3766284 0.86 HRH3 (0.48) HRH3
SCHEMBL3774013 0.84 HRH3 (0.66) HRH3
SCHEMBL3768152 0.84 HRH3 (0.63) HRH3
SCHEMBL3779371 0.84 HRH3 (0.49) HRH3
SCHEMBL4134776 0.83 SLC6A9 (0.50) HRH3SLC6A9SLC6A5ADORA2AHSD17B10
SCHEMBL13005941 0.82 KDM4E (0.54) HRH3HSD17B10
SCHEMBL3765811 0.82 KDM4E (0.54) HRH3HSD17B10
SCHEMBL3773296 0.82 HRH3 (0.52) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 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-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 HRH3 2/4885SLC6A9 3877/4885SLC6A5 2867/4885

“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.