SCHEMBL3770185

SCHEMBL3770185

O=C(CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
L3MBTL3 Q96JM7 2/20 0.45
TP53BP1 Q12888 1/20 0.45
P2RX7 Q99572 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PARP1 P09874 1/20 0.44
KDM2B Q8NHM5 1/20 0.43
PAK1 Q13153 1/20 0.43

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 0.91 KDM2B (0.53) L3MBTL1L3MBTL3TP53BP1GAAKDM4E
SCHEMBL3799209 0.89 NPC1 (0.52) HRH3L3MBTL1KDM4EALDH1A1PARP1
SCHEMBL3769002 0.84 DRD2 (0.50)
SCHEMBL3773336 0.83 MGLL (0.52) HRH3L3MBTL1KDM4EALDH1A1PARP1
SCHEMBL3768053 0.83 KMT2A (0.57) HRH3KDM4EALDH1A1PARP1
SCHEMBL3770890 0.82 HRH3 (0.50) HRH3L3MBTL1P2RX7KDM4EALDH1A1
SCHEMBL3780472 0.82 ALDH1A1 (0.59) HRH3L3MBTL1L3MBTL3TP53BP1GAA
SCHEMBL3772875 0.82 FNTA (0.51) HRH3L3MBTL1L3MBTL3TP53BP1KDM4E
SCHEMBL3774266 0.82 TSHR (0.52) HRH3L3MBTL1KDM4EALDH1A1
SCHEMBL3772593 0.82 DRD2 (0.51) KDM4EALDH1A1

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 2/4885L3MBTL1 1468/4885L3MBTL3 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.