SCHEMBL3774181

SCHEMBL3774181

O=C(COc1ccccc1)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.78
ACHE P22303 7/20 0.68
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 4/20 0.58
ORAI1 Q96D31 1/20 0.58
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 4/20 0.56
MAPT P10636 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL3767766 0.88 ACHE (0.68) KDM4EACHEKMT2AALDH1A1ORAI1
SCHEMBL3767619 0.88 KDM4E (0.61) KDM4EACHEKMT2AMEN1ALDH1A1
SCHEMBL3774220 0.88 KDM4E (0.61) KDM4EACHEKMT2AMEN1ALDH1A1
SCHEMBL3767950 0.88 SMN1; SMN2 (0.70) KDM4EACHEKMT2AMEN1ALDH1A1
SCHEMBL3767792 0.87 KDM4E (0.59) KDM4EACHEKMT2AMEN1MAPT
SCHEMBL3776429 0.87 GAA (0.61) KDM4EACHEALDH1A1ORAI1LMNA
SCHEMBL3779346 0.87 NPSR1 (0.72) KDM4EACHEKMT2AMEN1ALDH1A1
SCHEMBL3777134 0.85 KDM4E (0.57) KDM4EACHEKMT2AMEN1ALDH1A1
SCHEMBL3774733 0.85 KDM4E (0.57) KDM4EACHEKMT2AMEN1ALDH1A1
SCHEMBL3768125 0.84 MEN1 (0.62) KDM4EACHEKMT2AMEN1ALDH1A1

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 534/4885ACHE 2020/4885KMT2A 242/4885

“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.