SCHEMBL3774147

SCHEMBL3774147

O=C(CN1CCN(c2ccc(-c3cncnc3)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.55
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM2B Q8NHM5 1/20 0.47
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HIF1A Q16665 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42

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
SCHEMBL3762903 0.89 HRH3 (0.54) HRH3MAPK1ALDH1A1MAPTGFER
SCHEMBL3762866 0.87 ALDH1A1 (0.64) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3770022 0.86 LMNA (0.55) HRH3MAPK1ALDH1A1MAPTGFER
SCHEMBL3773726 0.86 MAPT (0.56) HRH3MAPK1ALDH1A1MAPTGFER
SCHEMBL3774550 0.86 GFER (0.67) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3769905 0.84 MEN1 (0.55) HRH3MAPK1ALDH1A1MAPTGFER
SCHEMBL3761269 0.84 ALDH1A1 (0.50) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL13006658 0.83 HRH3 (0.49) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3772009 0.83 MAPT (0.49) HRH3MAPK1ALDH1A1MAPTGFER
SCHEMBL3777307 0.83 ME2 (0.52) HRH3ALDH1A1MAPTGFERSMN1; SMN2

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 2/4885MAPK1 3915/4885ALDH1A1 1210/4885

“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.