SCHEMBL3770293

SCHEMBL3770293

Cc1ccc(C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.51
HPGD P15428 1/20 0.50
LRRK2 Q5S007 1/20 0.49
SLC6A4 P31645 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3765235 0.94 HRH3 (0.51) HRH3LRRK2SLC6A4L3MBTL1ALDH1A1
SCHEMBL3762910 0.92 ALDH1A1 (0.54) HRH3HPGDL3MBTL1ALDH1A1L3MBTL3
SCHEMBL3768037 0.91 HRH3 (0.55) HRH3HPGDLRRK2SLC6A4L3MBTL1
SCHEMBL3769169 0.88 HRH3 (0.53) HRH3LRRK2SLC6A4L3MBTL1ALDH1A1
SCHEMBL3767654 0.88 HPGD (0.57) HRH3HPGDLRRK2L3MBTL1ALDH1A1
SCHEMBL3774741 0.88 L3MBTL3 (0.50) HRH3HPGDLRRK2SLC6A4L3MBTL1
SCHEMBL3766156 0.85 USP2 (0.62) HRH3L3MBTL1ALDH1A1KDM4EL3MBTL3
SCHEMBL3774758 0.85 HRH3 (0.63) HRH3SLC6A4L3MBTL1KDM4EL3MBTL3
SCHEMBL3765288 0.84 HRH3 (0.53) HRH3SLC6A4L3MBTL1ALDH1A1KDM4E
SCHEMBL3773896 0.83 KDM2B (0.54) HPGDL3MBTL1ALDH1A1KDM4EL3MBTL3

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 HRH3 2/4885HPGD 377/4885LRRK2 1939/4885

“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.