SCHEMBL4928101

SCHEMBL4928101

COc1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.48
TLR7 Q9NYK1 5/20 0.48
HRH3 Q9Y5N1 2/20 0.45
CNR2 P34972 1/20 0.43
TP53 P04637 5/20 0.42
MAPT P10636 2/20 0.42
SCD O00767 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM2B Q8NHM5 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4123066 0.93 HRH3 (0.44) TLR9TLR7HRH3CNR2TP53
SCHEMBL4137164 0.91 HRH3 (0.44) TLR9TLR7HRH3CNR2TP53
SCHEMBL4127946 0.88 CNR2 (0.58) HRH3CNR2TP53MAPTNPC1
SCHEMBL4931840 0.85 HRH3 (0.47) TLR9TLR7HRH3TP53MAPT
SCHEMBL4927925 0.85 CNR2 (0.43) HRH3CNR2TP53MAPTSCD
SCHEMBL4130815 0.85 HRH3 (0.52) TLR9TLR7HRH3TP53MAPT
SCHEMBL4130813 0.84 HRH3 (0.46) TLR9TLR7HRH3TP53MAPT
SCHEMBL4134888 0.84 FFAR4 (0.41) HRH3CNR2TP53MAPTSCD
SCHEMBL4935931 0.84 TP53 (0.43) HRH3CNR2TP53MAPTSCD
SCHEMBL4140016 0.84 CNR2 (0.44) HRH3CNR2TP53MAPTSCD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US 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 TLR9 1120/4885TLR7 1069/4885HRH3 1/4885

“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.