SCHEMBL3774012

SCHEMBL3774012

O=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.61
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HRH3 Q9Y5N1 5/20 0.59
L3MBTL3 Q96JM7 5/20 0.56
MBTD1 Q05BQ5 1/20 0.51
TP53BP1 Q12888 1/20 0.51
L3MBTL4 Q8NA19 1/20 0.51
POLB P06746 2/20 0.51

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
SCHEMBL3766156 0.88 USP2 (0.62) L3MBTL1KDM4EALDH1A1HRH3L3MBTL3
SCHEMBL3774758 0.88 HRH3 (0.63) L3MBTL1KDM4EKMT2AHRH3L3MBTL3
SCHEMBL3770368 0.88 KDM4E (0.67) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3767394 0.87 HRH3 (0.56) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3765288 0.87 HRH3 (0.53) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3769040 0.86 KDM4E (0.67) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3769162 0.86 HTT (0.70) L3MBTL1KDM4EALDH1A1HRH3L3MBTL3
SCHEMBL3777456 0.86 KDM4E (0.58) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL3774201 0.85 ALDH1A1 (0.61) KDM4EALDH1A1MEN1KMT2AHRH3
SCHEMBL3770102 0.85 MAPT (0.59) KDM4EALDH1A1MEN1KMT2AHRH3

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 L3MBTL1 1468/4885KDM4E 534/4885ALDH1A1 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.