SCHEMBL4292121

SCHEMBL4292121

CCCCNC(=O)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47
HPGD P15428 3/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HRH3 Q9Y5N1 4/20 0.44
CYP1A2 P05177 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
SCHEMBL4136262 0.97 HDAC3 (0.47) HDAC3HDAC8CHRNA10CHRNA9HPGD
SCHEMBL4131206 0.94 CHRNA10 (0.54) HDAC3HDAC8CHRNA10CHRNA9ITGB3
SCHEMBL4293373 0.89 HRH3 (0.47) HDAC3HDAC8CHRNA10CHRNA9ITGB3
SCHEMBL4129140 0.86 HDAC3 (0.47) HDAC3HDAC8CHRNA10CHRNA9HPGD
SCHEMBL4130511 0.85 ALDH1A1 (0.48) HPGDMAPTMAPK1HRH3ALDH1A1
SCHEMBL4130420 0.84 HRH3 (0.43) HDAC3HDAC8CHRNA10CHRNA9ITGB3
SCHEMBL4131259 0.84 MEN1 (0.46) HDAC3HDAC8ITGB3ITGA2BL3MBTL3
SCHEMBL4130717 0.84 MEN1 (0.46) HDAC3HDAC8HPGDITGB3ITGA2B
SCHEMBL4131597 0.83 ITGB3 (0.44) HDAC3HDAC8CHRNA10CHRNA9ITGB3
SCHEMBL4136257 0.83 ALDH1A1 (0.46) HDAC3HDAC8HPGDITGB3ITGA2B

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 HDAC3 124/4885HDAC8 176/4885CHRNA10 70/4885

“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.