SCHEMBL3767541

SCHEMBL3767541

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GFER P55789 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 2/20 0.42
HIF1A Q16665 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
SCHEMBL3767251 0.90 HRH3 (0.48) HRH3MAPTALDH1A1LMNAKDM4E
SCHEMBL13006664 0.90 HRH3 (0.49) HRH3MAPTALDH1A1LMNAKDM4E
SCHEMBL3762935 0.89 KMT2A (0.47) HRH3MAPTALDH1A1LMNAKDM4E
SCHEMBL3762792 0.88 CHRNA10 (0.49) HRH3MAPTALDH1A1LMNAKMT2A
SCHEMBL13006659 0.88 HRH3 (0.51) HRH3MAPTALDH1A1LMNAKDM4E
SCHEMBL3774579 0.87 KDM4E (0.47) HRH3MAPTALDH1A1LMNAKDM4E
SCHEMBL3775927 0.87 HRH3 (0.48) HRH3MAPTALDH1A1LMNAKDM4E
SCHEMBL3765521 0.86 MAPT (0.48) HRH3MAPTALDH1A1LMNAGFER
SCHEMBL3773985 0.86 HRH3 (0.50) HRH3MAPTALDH1A1LMNAKDM4E
SCHEMBL3774384 0.86 HRH3 (0.49) HRH3MAPTALDH1A1LMNAKDM4E

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 2/4885MAPT 1475/4885ALDH1A1 1210/4885

“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.