SCHEMBL3780728

SCHEMBL3780728

O=C(CN1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
HRH3 Q9Y5N1 12/20 0.52
KCNH2 Q12809 2/20 0.50
RAB9A P51151 1/20 0.46
SLC6A4 P31645 2/20 0.45
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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 0.92 HRH3 (0.52) POLBHRH3MEN1KMT2A
SCHEMBL3769131 0.89 POLB (0.47) POLBHRH3KCNH2
SCHEMBL3774210 0.85 HRH3 (0.52) HRH3KCNH2SLC6A4MEN1MAPT
SCHEMBL3770169 0.85 KDM4E (0.46) HRH3MEN1NPC1KMT2A
SCHEMBL3774253 0.82 HRH3 (0.44) HRH3KCNH2KMT2A
SCHEMBL3773716 0.82 NPC1 (0.42) POLBHRH3RAB9AMEN1NPC1
SCHEMBL3774220 0.79 KDM4E (0.61) POLBHRH3RAB9AMEN1MAPT
SCHEMBL911560 0.78 POLB (0.56) POLBHRH3KCNH2RAB9AKMT2A
SCHEMBL13005958 0.78 KMT2A (0.55) HRH3RAB9AMEN1KMT2A
SCHEMBL3773907 0.77 KDM2B (0.53) POLBRAB9AMEN1KMT2A

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 POLB 4363/4885HRH3 2/4885KCNH2 130/4885

“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.