SCHEMBL4134569

SCHEMBL4134569

COc1ccc(C(C)C)cc1-c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
TLR8 Q9NR97 6/20 0.38
TLR7 Q9NYK1 6/20 0.38
TLR9 Q9NR96 5/20 0.38
TP53 P04637 7/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ABCB1 P08183 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4935909 0.88 CNR2 (0.41) CNR2LMNAHRH3KDM2B
SCHEMBL4927925 0.87 CNR2 (0.43) CNR2TP53MAPTMEN1KMT2A
SCHEMBL4123066 0.87 HRH3 (0.44) CNR2TLR7TLR9TP53MAPT
SCHEMBL4935931 0.87 TP53 (0.43) CNR2TP53MAPTMEN1KMT2A
SCHEMBL4140016 0.87 CNR2 (0.44) CNR2TP53MAPTMEN1KMT2A
SCHEMBL4127946 0.84 CNR2 (0.58) CNR2TP53MAPTMEN1KMT2A
SCHEMBL4928101 0.82 TLR9 (0.48) CNR2TLR7TLR9TP53MAPT
SCHEMBL4934309 0.82 KDM2B (0.40) CNR2TP53MAPTMEN1KMT2A
SCHEMBL4934204 0.81 TP53 (0.44) TLR8TLR7TLR9TP53MAPT
SCHEMBL4134888 0.81 FFAR4 (0.41) CNR2TP53MAPTMEN1KMT2A

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 6 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
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 CNR2 75/4885TLR8 1614/4885TLR7 1069/4885

“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.