SCHEMBL3762889

SCHEMBL3762889

O=C(CN1CCN(c2cnc(-c3ccc(Oc4ccccc4)cc3)cn2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HRH3 Q9Y5N1 10/20 0.45
ACHE P22303 4/20 0.44
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KCNH2 Q12809 1/20 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
SCHEMBL3763022 0.92 ALDH1A1 (0.46) KDM4EHRH3ACHEALDH1A1MAPT
SCHEMBL3768158 0.89 HRH3 (0.52) KDM4EHRH3ACHEALDH1A1GAA
SCHEMBL13006369 0.89 HRH3 (0.43) KDM4EHRH3ACHEALDH1A1MAPT
SCHEMBL3804836 0.89 ALDH1A1 (0.46) KDM4EHRH3ACHEALDH1A1GAA
SCHEMBL3768926 0.89 HRH3 (0.51) KDM4EHRH3ACHEALDH1A1GAA
SCHEMBL3776319 0.88 KDM4E (0.45) KDM4EHRH3ACHEALDH1A1MAPT
SCHEMBL3779360 0.87 HRH3 (0.43) KDM4EHRH3ACHEALDH1A1GAA
SCHEMBL3773544 0.87 EPHX2 (0.43) KDM4EHRH3ACHEALDH1A1MAPT
SCHEMBL13006478 0.87 HRH3 (0.46) KDM4EHRH3ACHEALDH1A1GAA
SCHEMBL3774286 0.86 HRH3 (0.47) HRH3ALDH1A1MAPTKDM2BKCNH2

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 534/4885HRH3 2/4885ACHE 2020/4885

“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.