SCHEMBL3762971

SCHEMBL3762971

CCC1CCCCN1C(=O)c1cccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
L3MBTL3 Q96JM7 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 7/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 4/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.40

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
SCHEMBL3773816 0.89 L3MBTL1 (0.51) L3MBTL1L3MBTL3MEN1KMT2ATSHR
SCHEMBL3769783 0.89 L3MBTL3 (0.46) L3MBTL1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL3799732 0.88 ALDH1A1 (0.47) L3MBTL1L3MBTL3MEN1KMT2ATSHR
SCHEMBL3803395 0.88 ALDH1A1 (0.47) L3MBTL1L3MBTL3MEN1KMT2ATSHR
SCHEMBL3768075 0.86 L3MBTL1 (0.49) L3MBTL1L3MBTL3MEN1KMT2ATSHR
SCHEMBL3762737 0.86 L3MBTL1 (0.67) L3MBTL1L3MBTL3MEN1KMT2ATSHR
SCHEMBL3761030 0.85 L3MBTL1 (0.65) L3MBTL1L3MBTL3MEN1KMT2ATSHR
SCHEMBL3774006 0.85 L3MBTL1 (0.65) L3MBTL1L3MBTL3MEN1KMT2ATSHR
SCHEMBL13006807 0.83 MEN1 (0.54) L3MBTL1L3MBTL3MEN1KMT2ATSHR
SCHEMBL3774041 0.83 L3MBTL1 (0.56) L3MBTL1L3MBTL3MEN1KMT2ATSHR

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 L3MBTL1 1468/4885L3MBTL3 1357/4885MEN1 3270/4885

“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.