SCHEMBL4122836

SCHEMBL4122836

CCN(C(=O)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)cc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
HSD11B1 P28845 1/20 0.47
SLC6A9 P48067 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
BRD4 O60885 1/20 0.46
OPRD1 P41143 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
ADORA2A P29274 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ALOX15 P16050 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
SCHEMBL4141288 0.86 HRH3 (0.48) HRH3BRD4MEN1KMT2AMBTD1
SCHEMBL4134776 0.85 SLC6A9 (0.50) HRH3HSD11B1SLC6A9SLC6A5BRD4
SCHEMBL4130409 0.83 HRH3 (0.49) HRH3MEN1KMT2AMBTD1TP53BP1
SCHEMBL4136741 0.83 HRH3 (0.43) HRH3OPRD1OPRM1OPRK1MEN1
SCHEMBL3768093 0.81 HRH3 (0.46) HRH3HSD11B1SLC6A9SLC6A5OPRD1
SCHEMBL4131598 0.79 HRH3 (0.46) HRH3MEN1KMT2AMBTD1TP53BP1
SCHEMBL4136511 0.79 KMT2A (0.62) HRH3MEN1KMT2AMBTD1TP53BP1
SCHEMBL4126209 0.78 ALDH1A1 (0.55) HRH3MEN1KMT2AMBTD1TP53BP1
SCHEMBL4293373 0.78 HRH3 (0.47) HRH3OPRD1OPRM1MEN1KMT2A
SCHEMBL4123114 0.78 HRH3 (0.56) HRH3MEN1KMT2AMBTD1TP53BP1

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 1/4885HSD11B1 2299/4885SLC6A9 2409/4885

“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.