SCHEMBL3774741

SCHEMBL3774741

Cc1ccc(C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
HRH3 Q9Y5N1 8/20 0.47
LRRK2 Q5S007 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
USP2 O75604 1/20 0.44
SLC6A4 P31645 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3762910 0.91 ALDH1A1 (0.54) L3MBTL3L3MBTL1HRH3ALDH1A1TP53
SCHEMBL3770293 0.88 HRH3 (0.51) L3MBTL3L3MBTL1HRH3LRRK2ALDH1A1
SCHEMBL3767654 0.87 HPGD (0.57) L3MBTL3L3MBTL1HRH3LRRK2ALDH1A1
SCHEMBL3765235 0.86 HRH3 (0.51) L3MBTL3L3MBTL1HRH3LRRK2ALDH1A1
SCHEMBL3766156 0.84 USP2 (0.62) L3MBTL3L3MBTL1HRH3ALDH1A1USP2
SCHEMBL3773896 0.83 KDM2B (0.54) L3MBTL3L3MBTL1ALDH1A1HPGDUSP2
SCHEMBL3770028 0.82 HPGD (0.50) L3MBTL3L3MBTL1HRH3ALDH1A1HPGD
SCHEMBL3765288 0.81 HRH3 (0.53) L3MBTL3L3MBTL1HRH3ALDH1A1SLC6A4
SCHEMBL3768037 0.81 HRH3 (0.55) L3MBTL3L3MBTL1HRH3LRRK2ALDH1A1
SCHEMBL3761199 0.81 ALDH1A1 (0.64) L3MBTL1ALDH1A1TP53HPGDKDM4E

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 L3MBTL3 1357/4885L3MBTL1 1468/4885HRH3 2/4885

“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.