SCHEMBL3763002

SCHEMBL3763002

CC(=O)c1ccc(-c2ccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.46
TP53 P04637 5/20 0.46
MAPT P10636 5/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3767453 0.90 HRH3 (0.45) HRH3MAPTNPC1RAB9AHTT
SCHEMBL3769164 0.90 TP53 (0.45) HRH3TP53MAPTNPC1RAB9A
SCHEMBL3767452 0.89 LMNA (0.45) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL3767918 0.89 HRH3 (0.47) HRH3TP53MAPTMEN1KMT2A
SCHEMBL3767633 0.89 HRH3 (0.46) HRH3MAPTRAB9AHTTKMT2A
SCHEMBL3777225 0.88 ALDH1A1 (0.45) HRH3MAPTPOLBNPC1RAB9A
SCHEMBL3773927 0.88 ALDH1A1 (0.47) HRH3MAPTRAB9AHTTNPSR1
SCHEMBL13006633 0.88 PANK3 (0.47) HRH3MAPTNPC1RAB9AMEN1
SCHEMBL3771694 0.88 PANK3 (0.48) HRH3NPC1RAB9A
SCHEMBL3770163 0.88 HRH3 (0.49) HRH3TP53MAPTRAB9AKMT2A

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 2/4885TP53 3661/4885MAPT 1475/4885

“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.