SCHEMBL3768093

SCHEMBL3768093

CCN(C(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 2/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 1/20 0.44
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR1 P03372 2/20 0.41
ESRRG P62508 2/20 0.41
ESRRB O95718 1/20 0.41
ESRRA P11474 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL3767445 0.89 ALDH1A1 (0.47) HRH3ALDH1A1MAPTLMNAMEN1
SCHEMBL3767799 0.88 ALDH1A1 (0.46) HRH3ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3761202 0.88 OPRD1 (0.50) HRH3ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3777294 0.86 HRH3 (0.48) HRH3HSD11B1SLC6A9SLC6A5
SCHEMBL13006661 0.86 ALDH1A1 (0.50) HRH3ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3773836 0.85 ALDH1A1 (0.45) HRH3ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3776934 0.84 MEN1 (0.57) HRH3ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3769793 0.83 ALDH1A1 (0.51) HRH3ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3765368 0.83 ALDH1A1 (0.51) HRH3ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3767816 0.82 MEN1 (0.58) HRH3ITGB3ITGA2BALDH1A1MAPT

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 2/4885ITGB3 2623/4885ITGA2B 4115/4885

“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.