SCHEMBL4426009

SCHEMBL4426009

CC(=O)c1cccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
HRH3 Q9Y5N1 3/20 0.48
NPC1 O15118 12/20 0.48
RAB9A P51151 12/20 0.48
MAPT P10636 2/20 0.48
PAX8 Q06710 2/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 1/20 0.48
SCD O00767 1/20 0.42

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
SCHEMBL4140021 0.89 TP53 (0.51) TP53HRH3NPC1RAB9AMAPT
SCHEMBL4130313 0.87 NPC1 (0.44) TP53NPC1RAB9AMAPTPAX8
SCHEMBL4134769 0.85 TP53 (0.46) TP53HRH3NPC1RAB9AMAPT
SCHEMBL4137314 0.83 DYRK3 (0.44) TP53HRH3NPC1RAB9AMAPT
SCHEMBL4130870 0.83 TP53 (0.46) TP53HRH3NPC1RAB9AMAPT
SCHEMBL4122986 0.83 TP53 (0.46) TP53NPC1RAB9AMAPTPAX8
SCHEMBL4141295 0.83 NPC1 (0.40) TP53HRH3NPC1RAB9AMAPT
SCHEMBL4140017 0.83 NPC1 (0.43) TP53NPC1RAB9AMAPTPAX8
SCHEMBL4125567 0.83 NPC1 (0.40) TP53NPC1RAB9AMAPTPAX8
SCHEMBL4131484 0.83 TP53 (0.47) TP53HRH3NPC1RAB9AMAPT

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
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 WO claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 TP53 3939/4885HRH3 1/4885NPC1 2854/4885

“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.