SCHEMBL3767376

SCHEMBL3767376

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH3 Q9Y5N1 4/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 2/20 0.45
HIF1A Q16665 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44
TP53BP1 Q12888 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3763211 0.98 LMNA (0.51) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3767816 0.88 MEN1 (0.58) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3776058 0.87 MEN1 (0.63) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3762848 0.87 MEN1 (0.63) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL13006657 0.86 ALDH1A1 (0.58) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3765368 0.86 ALDH1A1 (0.51) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3767541 0.85 HRH3 (0.48) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3767465 0.85 MEN1 (0.58) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3775652 0.85 LMNA (0.58) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL13006659 0.85 HRH3 (0.51) LMNAALDH1A1MAPTMEN1KMT2A

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 LMNA 2902/4885ALDH1A1 1210/4885MAPT 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.