SCHEMBL4130810

SCHEMBL4130810

COc1cncc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.42
HRH3 Q9Y5N1 4/20 0.40
IRAK4 Q9NWZ3 1/20 0.37
TP53 P04637 4/20 0.36
MAPT P10636 2/20 0.36
SCD5 Q86SK9 1/20 0.36
METTL3 Q86U44 1/20 0.36
METTL14 Q9HCE5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 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
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4131484 0.87 TP53 (0.47) SCDHRH3TP53MAPTKDM4E
SCHEMBL4931840 0.86 HRH3 (0.47) SCDHRH3TP53MAPTKDM4E
SCHEMBL4130813 0.85 HRH3 (0.46) SCDHRH3TP53MAPTKDM4E
SCHEMBL4130815 0.84 HRH3 (0.52) SCDHRH3TP53MAPTNPC1
SCHEMBL4136820 0.83 HRH3 (0.37) SCDHRH3
SCHEMBL4934204 0.82 TP53 (0.44) HRH3TP53MAPTKDM4EMEN1
SCHEMBL4130754 0.82 TP53 (0.42) SCDHRH3TP53MAPTKDM4E
SCHEMBL4129879 0.81 SCD (0.53) SCDHRH3
SCHEMBL4928101 0.81 TLR9 (0.48) SCDHRH3TP53MAPTMEN1
SCHEMBL4136835 0.80 SCD (0.46) SCDHRH3KDM4EALDH1A1KMT2A

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
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US 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 SCD 4210/4885HRH3 1/4885IRAK4 2879/4885

“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.