SCHEMBL4130813

SCHEMBL4130813

COc1ccc(-c2ccc(-c3ccc(N4CCC5(CC4)CCN(C4CCC4)CC5)nn3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
SCD O00767 2/20 0.43
KDM2B Q8NHM5 2/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
TP53 P04637 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4931840 0.99 HRH3 (0.47) HRH3SCDKDM2BTLR9TLR7
SCHEMBL4130815 0.90 HRH3 (0.52) HRH3SCDKDM2BTLR9TLR7
SCHEMBL4125766 0.87 TP53 (0.44) HRH3TP53MAPTKDM4EMEN1
SCHEMBL4278806 0.86 SCD (0.47) HRH3SCDKDM2BTP53MAPT
SCHEMBL4131484 0.86 TP53 (0.47) HRH3SCDKDM2BTP53MAPT
SCHEMBL4131439 0.86 HRH3 (0.44) HRH3SCDKDM2BTP53MAPT
SCHEMBL4130810 0.85 SCD (0.42) HRH3SCDTP53MAPTKDM4E
SCHEMBL4134954 0.85 MAPT (0.48) HRH3TP53MAPTMEN1NPC1
SCHEMBL4934204 0.85 TP53 (0.44) HRH3TLR9TLR7TP53MAPT
SCHEMBL4130316 0.85 MAPT (0.51) HRH3SCDTP53MAPTMEN1

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 HRH3 1/4885SCD 4210/4885KDM2B 577/4885

“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.