SCHEMBL3774758

SCHEMBL3774758

O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.63
L3MBTL3 Q96JM7 5/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
KCNH2 Q12809 1/20 0.53
SLC6A4 P31645 1/20 0.52
MBTD1 Q05BQ5 1/20 0.51
TP53BP1 Q12888 1/20 0.51
L3MBTL4 Q8NA19 1/20 0.51
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL3764970 0.88 KDM4E (0.53) HRH3L3MBTL3L3MBTL1SLC6A4KDM4E
SCHEMBL3774012 0.88 L3MBTL1 (0.61) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL3766156 0.88 USP2 (0.62) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL3770368 0.88 KDM4E (0.67) HRH3L3MBTL3L3MBTL1KMT2AKDM4E
SCHEMBL3780518 0.87 ALDH1A1 (0.56) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL3768037 0.87 HRH3 (0.55) HRH3L3MBTL3L3MBTL1SLC6A4KDM4E
SCHEMBL3769169 0.87 HRH3 (0.53) HRH3L3MBTL3L3MBTL1SLC6A4KDM4E
SCHEMBL3769040 0.86 KDM4E (0.67) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL3767284 0.86 KDM4E (0.70) HRH3L3MBTL3L3MBTL1KCNH2KMT2A
SCHEMBL3777456 0.86 KDM4E (0.58) HRH3L3MBTL3L3MBTL1SMN1; SMN2KMT2A

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 2/4885L3MBTL3 1357/4885L3MBTL1 1468/4885

“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.