SCHEMBL4134776

SCHEMBL4134776

CCN(C(=O)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.50
SLC6A5 Q9Y345 1/20 0.50
ADORA2A P29274 4/20 0.46
HRH3 Q9Y5N1 10/20 0.45
ADRA1A P35348 1/20 0.42
BRD4 O60885 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSD11B1 P28845 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL4128181 0.87 HRH3 (0.47) SLC6A9SLC6A5HRH3ADRA1AHSD17B10
SCHEMBL4122836 0.85 HRH3 (0.48) SLC6A9SLC6A5ADORA2AHRH3BRD4
SCHEMBL4142655 0.85 HRH3 (0.45) SLC6A9SLC6A5HRH3ADRA1AHSD17B10
SCHEMBL3777294 0.83 HRH3 (0.48) SLC6A9SLC6A5ADORA2AHRH3HSD17B10
SCHEMBL4936546 0.81 HRH3 (0.64) HRH3ADRA1AHSD17B10
SCHEMBL4130864 0.81 HRH3 (0.47) SLC6A9SLC6A5HRH3ADRA1A
SCHEMBL4130587 0.80 HRH3 (0.51) HRH3ADRA1A
SCHEMBL4139822 0.80 HRH3 (0.48) HRH3ADRA1A
SCHEMBL14027177 0.79 HRH3 (0.64) HRH3ADRA1AOPRM1OPRK1
SCHEMBL4140037 0.79 ALDH1A1 (0.59) HRH3ADRA1AHSD17B10

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 SLC6A9 2409/4885SLC6A5 1294/4885ADORA2A 80/4885

“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.