SCHEMBL3768949

SCHEMBL3768949

O=C(c1ccncc1)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
HTT P42858 3/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
GFER P55789 1/20 0.48
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
TRPV6 Q9H1D0 1/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MBTD1 Q05BQ5 1/20 0.46
TP53BP1 Q12888 1/20 0.46
L3MBTL4 Q8NA19 1/20 0.46

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) HRH3KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL3765225 0.89 ALDH1A1 (0.61) KDM4EMAPTALDH1A1SMN1; SMN2GFER
SCHEMBL3774527 0.87 ALDH1A1 (0.61) KDM4EMAPTALDH1A1SMN1; SMN2GFER
SCHEMBL3771828 0.86 L3MBTL3 (0.60) HRH3MAPTALDH1A1SMN1; SMN2GFER
SCHEMBL13006657 0.85 ALDH1A1 (0.58) HRH3KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL3769040 0.85 KDM4E (0.67) HRH3KDM4EALDH1A1TRPV6MEN1
SCHEMBL3767563 0.85 L3MBTL3 (0.59) HRH3KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL13005932 0.85 L3MBTL3 (0.59) HRH3KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL3767816 0.84 MEN1 (0.58) HRH3MAPTALDH1A1SMN1; SMN2GFER
SCHEMBL3762848 0.84 MEN1 (0.63) HRH3MAPTALDH1A1SMN1; SMN2GFER

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 2/4885HTT 608/4885KDM4E 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.