SCHEMBL3773341

SCHEMBL3773341

O=C(CN1CCN(c2cccc(F)c2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 2/20 0.56
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
ADAMTS5 Q9UNA0 3/20 0.51
HTT P42858 1/20 0.49
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
HIF1A Q16665 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP2 P08253 1/20 0.45
ENPP2 Q13822 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13004965 0.98 MEN1 (0.56) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL3777242 0.97 MEN1 (0.55) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL3773843 0.89 MEN1 (0.51) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL3777299 0.89 MAPK1 (0.55) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL3771719 0.88 MEN1 (0.74) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL3771355 0.87 MEN1 (0.56) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL3769095 0.87 MEN1 (0.56) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL3770102 0.86 MAPT (0.59) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3762865 0.86 POLB (0.61) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3767674 0.86 ALDH1A1 (0.74) MEN1KMT2ATSHRMAPTALDH1A1

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 242/4885TSHR 436/4885

“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.