SCHEMBL3776110

SCHEMBL3776110

O=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.57
NPC1 O15118 1/20 0.56
GFER P55789 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.52
ME2 P23368 1/20 0.51
ME1 P48163 1/20 0.51
ME3 Q16798 1/20 0.51

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
SCHEMBL13004959 0.99 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3770102 0.96 MAPT (0.59) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3773726 0.93 MAPT (0.56) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3779438 0.88 SMN1; SMN2 (0.70) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3780648 0.88 MAPT (0.54) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3767518 0.88 LMNA (0.57) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3767578 0.88 ALDH1A1 (0.72) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3769215 0.87 ME2 (0.54) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3773552 0.87 GFER (0.72) MEN1KMT2AMAPTALDH1A1GFER
SCHEMBL3763143 0.87 LMNA (0.58) MEN1KMT2AMAPTALDH1A1KDM4E

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 MEN1 3270/4885KMT2A 242/4885MAPT 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.