SCHEMBL3770169

SCHEMBL3770169

COc1ncccc1C(=O)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
EPHX2 P34913 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL3769925 0.87 HRH3 (0.52) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3780728 0.85 POLB (0.57) NPC1KMT2AMEN1HRH3
SCHEMBL3773716 0.85 NPC1 (0.42) KDM4EALDH1A1GAALMNANPC1
SCHEMBL3769131 0.85 POLB (0.47) KDM4EALDH1A1HRH3
SCHEMBL3773369 0.84 HRH3 (0.43) KDM4EALDH1A1KMT2ATSHRHRH3
SCHEMBL13005958 0.84 KMT2A (0.55) KDM4EALDH1A1GAALMNAL3MBTL1
SCHEMBL3770107 0.83 KDM4E (0.66) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL3768975 0.82 HRH3 (0.41) KDM4EALDH1A1NPC1KMT2AMEN1
SCHEMBL3769123 0.82 HSD11B1 (0.44) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3774589 0.81 KDM4E (0.64) KDM4EALDH1A1GAALMNAKMT2A

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.