SCHEMBL3765102

SCHEMBL3765102

CCCCCNC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
DRD2 P14416 4/20 0.44
DRD3 P35462 3/20 0.44
ALDH1A1 P00352 3/20 0.44
DRD4 P21917 1/20 0.44
LMNA P02545 1/20 0.43
GFER P55789 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 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
SCHEMBL3765521 0.97 MAPT (0.48) HDAC3HDAC8L3MBTL3L3MBTL1HRH3
SCHEMBL3762792 0.93 CHRNA10 (0.49) HDAC3HDAC8L3MBTL3L3MBTL1HRH3
SCHEMBL13006664 0.89 HRH3 (0.49) HRH3MAPTMAPK1ALDH1A1LMNA
SCHEMBL3763239 0.89 MEN1 (0.48) HDAC3L3MBTL3L3MBTL1MAPTDRD2
SCHEMBL3767769 0.87 HDAC3 (0.46) HDAC3HDAC8L3MBTL3L3MBTL1HRH3
SCHEMBL3770227 0.87 HRH3 (0.48) HRH3MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3774504 0.86 MEN1 (0.46) L3MBTL3L3MBTL1MAPTDRD2DRD3
SCHEMBL3767541 0.85 HRH3 (0.48) HRH3MAPTMAPK1ALDH1A1LMNA
SCHEMBL13006659 0.85 HRH3 (0.51) L3MBTL3L3MBTL1HRH3MAPTMAPK1
SCHEMBL3770443 0.85 HRH3 (0.46) HRH3MAPTMAPK1ALDH1A1LMNA

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 HDAC3 213/4885HDAC8 443/4885L3MBTL3 1357/4885

“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.