SCHEMBL3769925

SCHEMBL3769925

O=C(CN1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.52
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL3780728 0.92 POLB (0.57) HRH3POLBMEN1KMT2A
SCHEMBL3769131 0.89 POLB (0.47) HRH3KDM4EPOLBALDH1A1
SCHEMBL3770169 0.87 KDM4E (0.46) HRH3KDM4EALDH1A1MEN1MAPK1
SCHEMBL3774020 0.85 TSHR (0.54) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3773716 0.84 NPC1 (0.42) HRH3KDM4EPOLBALDH1A1MEN1
SCHEMBL3767714 0.81 HRH3 (0.50) HRH3KDM4EPOLBALDH1A1MEN1
SCHEMBL13005958 0.80 KMT2A (0.55) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3767212 0.80 HTT (0.56) KDM4EPOLBALDH1A1NPSR1L3MBTL3
SCHEMBL3767998 0.79 L3MBTL1 (0.57) HRH3KDM4EPOLBALDH1A1L3MBTL1
SCHEMBL3767490 0.79 HRH3 (0.60) HRH3KDM4EPOLBALDH1A1MEN1

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 2/4885KDM4E 534/4885POLB 4363/4885

“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.