SCHEMBL3769162

SCHEMBL3769162

O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.70
USP2 O75604 1/20 0.62
TDP1 Q9NUW8 2/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 4/20 0.55
SLC6A4 P31645 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
L3MBTL3 Q96JM7 1/20 0.52
GAA P10253 1/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL3767284 0.87 KDM4E (0.70) HTTALDH1A1KDM4EL3MBTL1L3MBTL3
SCHEMBL3773896 0.87 KDM2B (0.54) HTTUSP2ALDH1A1KDM4EL3MBTL1
SCHEMBL3774012 0.86 L3MBTL1 (0.61) ALDH1A1KDM4EL3MBTL1L3MBTL3HRH3
SCHEMBL3773869 0.86 POLB (0.57) HTTUSP2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3770368 0.86 KDM4E (0.67) HTTALDH1A1KDM4EL3MBTL1L3MBTL3
SCHEMBL3765288 0.85 HRH3 (0.53) HTTALDH1A1KDM4ESLC6A4L3MBTL1
SCHEMBL3761223 0.85 ALDH1A1 (0.53) HTTUSP2ALDH1A1KDM4EHRH3
SCHEMBL3773341 0.84 MEN1 (0.56) HTTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL3768082 0.84 KDM4E (0.59) HTTUSP2ALDH1A1KDM4EHRH3
SCHEMBL3776961 0.84 ALDH1A1 (0.63) ALDH1A1KDM4ESLC6A4L3MBTL1HRH3

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 HTT 608/4885USP2 2954/4885TDP1 4483/4885

“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.