SCHEMBL3767679

SCHEMBL3767679

O=C(CN1CCN(c2ccc(N3CCCC3=O)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.57
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
GFER P55789 1/20 0.49
PARP1 P09874 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL13006657 0.84 ALDH1A1 (0.58) HRH3ALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL3770102 0.83 MAPT (0.59) HRH3ALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL3775652 0.83 LMNA (0.58) HRH3ALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL3767730 0.83 GFER (0.72) HRH3ALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL3767674 0.83 ALDH1A1 (0.74) HRH3ALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL3762866 0.81 ALDH1A1 (0.64) HRH3ALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL3767816 0.81 MEN1 (0.58) HRH3ALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL3773552 0.81 GFER (0.72) HRH3ALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL3763143 0.81 LMNA (0.58) HRH3ALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL13004959 0.81 MEN1 (0.62) ALDH1A1MAPTSMN1; SMN2GFERLMNA

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 2/4885ALDH1A1 1210/4885MAPT 1475/4885

“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.