SCHEMBL3779360

SCHEMBL3779360

CCCOc1ccc(-c2cnc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
ME2 P23368 2/20 0.43
ME1 P48163 2/20 0.43
ME3 Q16798 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 6/20 0.43
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3804836 0.93 ALDH1A1 (0.46) HRH3ALDH1A1MEN1LMNAKMT2A
SCHEMBL3768158 0.90 HRH3 (0.52) HRH3ME2ME1ME3ALDH1A1
SCHEMBL3768926 0.90 HRH3 (0.51) HRH3ME2ME1ME3ALDH1A1
SCHEMBL13006369 0.89 HRH3 (0.43) HRH3ALDH1A1KMT2AACHEKDM4E
SCHEMBL3769187 0.88 ALDH1A1 (0.45) HRH3ME2ME1ME3ALDH1A1
SCHEMBL3774234 0.88 KMT2A (0.41) HRH3ME2ME1ME3ALDH1A1
SCHEMBL3774297 0.88 HRH3 (0.41) HRH3ALDH1A1MEN1KMT2AACHE
SCHEMBL3771792 0.87 SMO (0.42) HRH3ALDH1A1LMNAACACBACACA
SCHEMBL3762889 0.87 KDM4E (0.46) HRH3ALDH1A1LMNAACHEKDM4E
SCHEMBL3773544 0.86 EPHX2 (0.43) HRH3ALDH1A1MEN1KMT2AACHE

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 2/4885ME2 637/4885ME1 1223/4885

“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.