SCHEMBL3774050

SCHEMBL3774050

O=C(CN1CCC(N2CCCCCC2)CC1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 1/20 0.73
GAA P10253 2/20 0.60
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL3 Q96JM7 7/20 0.51
L3MBTL1 Q9Y468 6/20 0.51
MBTD1 Q05BQ5 5/20 0.51
CBX7 O95931 2/20 0.50
CDYL2 Q8N8U2 2/20 0.50
CDYL Q9Y232 2/20 0.50
CDY1; CDY1B Q9Y6F8 1/20 0.50
MAPT P10636 1/20 0.49
TP53BP1 Q12888 2/20 0.49
L3MBTL4 Q8NA19 1/20 0.49
PARP1 P09874 1/20 0.47
ACHE P22303 1/20 0.47
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13005059 0.92 KDM4E (0.68) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13005710 0.92 KDM4E (0.68) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3780589 0.92 KDM4E (0.63) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3773620 0.92 KDM4E (0.68) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3774024 0.92 KDM4E (0.68) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3769500 0.92 KDM4E (0.68) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3774221 0.92 KDM4E (0.68) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13005640 0.92 KDM4E (0.68) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13005094 0.91 KDM4E (0.63) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13005070 0.90 KDM4E (0.65) KDM4EALDH1A1GAAMEN1KMT2A

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 KDM4E 534/4885ALDH1A1 1210/4885GAA 2143/4885

“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.