SCHEMBL3773597

SCHEMBL3773597

O=C(CN1CCN(c2cnc(-c3cccc(F)c3F)cn2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.43
GRIN2B Q13224 1/20 0.41
ACHE P22303 1/20 0.40
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
WNT3A P56704 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CNR2 P34972 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
BDKRB1 P46663 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3767828 0.86 HRH3 (0.40) HRH3GRIN2BACHEPARP1ALDH1A1
SCHEMBL3770763 0.86 CNR2 (0.50) HRH3PARP1ALDH1A1MAPTKDM4E
SCHEMBL3774609 0.86 HRH3 (0.47) HRH3GRIN2BALDH1A1MAPTWNT3A
SCHEMBL3773713 0.86 HRH3 (0.47) HRH3GRIN2BALDH1A1MAPTKDM4E
SCHEMBL3762973 0.85 CNR2 (0.43) HRH3PARP1ALDH1A1MAPTKDM4E
SCHEMBL3769132 0.85 ALDH1A1 (0.43) HRH3PARP1ALDH1A1MAPTWNT3A
SCHEMBL3768064 0.84 HRH3 (0.42) HRH3ACHEALDH1A1MAPTCYP11B1
SCHEMBL3770158 0.84 HRH3 (0.42) HRH3ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL3767713 0.84 HRH3 (0.42) HRH3ALDH1A1MAPTKDM4ECYP11B1
SCHEMBL3769085 0.83 HRH3 (0.50) HRH3ALDH1A1MAPTCYP11B1CYP11B2

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 2/4885GRIN2B 1548/4885ACHE 2020/4885

“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.