SCHEMBL3765288

SCHEMBL3765288

O=C(CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
L3MBTL3 Q96JM7 2/20 0.50
HTT P42858 1/20 0.50
HSD11B1 P28845 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC6A4 P31645 1/20 0.46

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
SCHEMBL3769169 0.90 HRH3 (0.53) HRH3L3MBTL1L3MBTL3HTTKDM4E
SCHEMBL3767732 0.90 HRH3 (0.53) HRH3L3MBTL1L3MBTL3HTTKDM4E
SCHEMBL3780686 0.87 ALDH1A1 (0.53) HRH3MEN1KMT2AHTTKDM4E
SCHEMBL3774012 0.87 L3MBTL1 (0.61) HRH3MEN1KMT2AL3MBTL1L3MBTL3
SCHEMBL3769162 0.85 HTT (0.70) HRH3L3MBTL1L3MBTL3HTTKDM4E
SCHEMBL3762910 0.85 ALDH1A1 (0.54) HRH3KMT2AL3MBTL1L3MBTL3ALDH1A1
SCHEMBL3774758 0.85 HRH3 (0.63) HRH3KMT2AL3MBTL1L3MBTL3KDM4E
SCHEMBL3770293 0.84 HRH3 (0.51) HRH3MEN1KMT2AL3MBTL1L3MBTL3
SCHEMBL3768037 0.84 HRH3 (0.55) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL3762944 0.83 PARP1 (0.49) HRH3MEN1KMT2AHTTKDM4E

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 6 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

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 2/4885MEN1 3270/4885KMT2A 242/4885

“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.