SCHEMBL3770797

SCHEMBL3770797

Nc1ccccc1C(=O)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
TP53BP1 Q12888 2/20 0.50
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
PARP1 P09874 1/20 0.48
CHRM2 P08172 1/20 0.47
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44

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
SCHEMBL3773907 0.86 KDM2B (0.53) L3MBTL3L3MBTL1TP53BP1KDM4EALDH1A1
SCHEMBL3767212 0.86 HTT (0.56) L3MBTL3L3MBTL1TP53BP1KDM4EALDH1A1
SCHEMBL3773954 0.86 MEN1 (0.62) L3MBTL3L3MBTL1TP53BP1KDM4EALDH1A1
SCHEMBL3770070 0.84 CHRM2 (0.51) L3MBTL3L3MBTL1TP53BP1KDM4EALDH1A1
SCHEMBL3768371 0.84 ALDH1A1 (0.45) L3MBTL3L3MBTL1KDM4EALDH1A1PARP1
SCHEMBL3768865 0.84 L3MBTL1 (0.50) L3MBTL3L3MBTL1KDM4EALDH1A1HRH3
SCHEMBL3780458 0.84 HRH3 (0.48) L3MBTL3L3MBTL1KDM4EALDH1A1PARP1
SCHEMBL3762901 0.84 TSHR (0.55) L3MBTL3L3MBTL1TP53BP1KDM4EALDH1A1
SCHEMBL3780472 0.84 ALDH1A1 (0.59) L3MBTL3L3MBTL1TP53BP1KDM4EALDH1A1
SCHEMBL3762914 0.83 L3MBTL3 (0.55) L3MBTL3L3MBTL1TP53BP1KDM4EALDH1A1

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 L3MBTL3 1357/4885L3MBTL1 1468/4885TP53BP1 4191/4885

“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.