SCHEMBL4131206

SCHEMBL4131206

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA10 Q9GZZ6 1/20 0.54
CHRNA9 Q9UGM1 1/20 0.54
HRH3 Q9Y5N1 5/20 0.45
HDAC3 O15379 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL3 Q96JM7 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MBTD1 Q05BQ5 1/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
SMYD3 Q9H7B4 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
SCHEMBL4292121 0.94 HDAC3 (0.47) CHRNA10CHRNA9HRH3HDAC3HDAC8
SCHEMBL4136262 0.93 HDAC3 (0.47) CHRNA10CHRNA9HRH3HDAC3HDAC8
SCHEMBL4293373 0.91 HRH3 (0.47) CHRNA10CHRNA9HRH3HDAC3HDAC8
SCHEMBL4129140 0.88 HDAC3 (0.47) CHRNA10CHRNA9HRH3HDAC3HDAC8
SCHEMBL4130420 0.86 HRH3 (0.43) CHRNA10CHRNA9HRH3HDAC3HDAC8
SCHEMBL4131259 0.86 MEN1 (0.46) HRH3HDAC3HDAC8ITGB3ITGA2B
SCHEMBL4130717 0.86 MEN1 (0.46) HRH3HDAC3HDAC8ITGB3ITGA2B
SCHEMBL4131597 0.85 ITGB3 (0.44) CHRNA10CHRNA9HRH3HDAC3HDAC8
SCHEMBL4136937 0.85 HRH3 (0.50) HRH3HDAC3HDAC8MEN1KMT2A
SCHEMBL4130249 0.84 ALDH1A1 (0.50) HRH3TP53MAPT

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 CHRNA10 70/4885CHRNA9 101/4885HRH3 1/4885

“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.