SCHEMBL3771302

SCHEMBL3771302

O=C(CN1CCN(c2ccc(-c3ccc(F)cc3F)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.46
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAPK1 P28482 3/20 0.44
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 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
SCHEMBL3775819 0.92 MAPT (0.48) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL3768009 0.90 MAPT (0.50) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL3770220 0.90 GFER (0.54) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL3773726 0.89 MAPT (0.56) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL3776066 0.88 ACHE (0.55) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL3770102 0.88 MAPT (0.59) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL3769379 0.86 ALDH1A1 (0.48) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL3772009 0.86 MAPT (0.49) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL13004959 0.85 MEN1 (0.62) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL3777299 0.85 MAPK1 (0.55) MAPTALDH1A1KDM4ELMNAMEN1

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 MAPT 1475/4885ALDH1A1 1210/4885KDM4E 534/4885

“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.