SCHEMBL3774166

SCHEMBL3774166

CC(C)N1CCN(CC(=O)N2CCC(N3CCCCC3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CBX7 O95931 2/20 0.43
CDYL2 Q8N8U2 2/20 0.43
CDYL Q9Y232 2/20 0.43
CDY1; CDY1B Q9Y6F8 1/20 0.43
L3MBTL3 Q96JM7 4/20 0.42
MBTD1 Q05BQ5 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
G6PD P11413 1/20 0.42
HPGD P15428 1/20 0.42
CACNA1B Q00975 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
SCHEMBL13005055 0.94 KDM4E (0.60) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3768011 0.94 KDM4E (0.60) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13005068 0.93 KDM4E (0.58) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13005057 0.91 KDM4E (0.56) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13005074 0.91 KDM4E (0.56) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13004994 0.87 HRH3 (0.51) KDM4EALDH1A1GAAKMT2ARECQL
SCHEMBL13004990 0.87 HRH3 (0.51) KDM4EALDH1A1GAAKMT2ARECQL
SCHEMBL3774050 0.85 KDM4E (0.73) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3780589 0.84 KDM4E (0.63) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13005001 0.84 HRH3 (0.48) KDM4EALDH1A1GAARECQLSMN1; SMN2

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 KDM4E 534/4885ALDH1A1 1210/4885GAA 2143/4885

“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.