SCHEMBL4130815

SCHEMBL4130815

COc1ccc2cc(-c3ccc(N4CCC5(CC4)CCN(C4CCC4)CC5)nn3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.52
SCD O00767 2/20 0.49
TP53 P04637 5/20 0.42
MAPT P10636 1/20 0.42
PTPN11 Q06124 1/20 0.41
KDM2B Q8NHM5 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
KCNH2 Q12809 2/20 0.40
ADRA1A P35348 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
SCHEMBL4931840 0.91 HRH3 (0.47) HRH3SCDTP53MAPTKDM2B
SCHEMBL4130813 0.90 HRH3 (0.46) HRH3SCDTP53MAPTKDM2B
SCHEMBL4131484 0.89 TP53 (0.47) HRH3SCDTP53MAPTKDM2B
SCHEMBL4131240 0.88 HRH3 (0.44) HRH3SCDMAPTKDM2BNPC1
SCHEMBL4934204 0.86 TP53 (0.44) HRH3TP53MAPTNPC1RAB9A
SCHEMBL4928101 0.85 TLR9 (0.48) HRH3SCDTP53MAPTKDM2B
SCHEMBL4130810 0.84 SCD (0.42) HRH3SCDTP53MAPTNPC1
SCHEMBL4123066 0.84 HRH3 (0.44) HRH3SCDTP53MAPTKDM2B
SCHEMBL4137164 0.84 HRH3 (0.44) HRH3SCDTP53MAPTNPC1
SCHEMBL4130751 0.84 TP53 (0.42) HRH3SCDTP53MAPTNPC1

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
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

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 4210/4885TP53 3939/4885

“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.