SCHEMBL4139979

SCHEMBL4139979

CNC(=O)c1ccc(N2CCC3(CC2)CCN(C2CCCC2C)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
HDAC3 O15379 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
USP2 O75604 3/20 0.40
SMYD3 Q9H7B4 1/20 0.40
PARP1 P09874 3/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4136937 0.88 HRH3 (0.50) HDAC6HDAC3HDAC8SMYD3MEN1
SCHEMBL4131567 0.85 HRH3 (0.47) HDAC6HDAC3HDAC8SMYD3MEN1
SCHEMBL4128900 0.85 HRH3 (0.47) HDAC6HDAC3HDAC8SMYD3MEN1
SCHEMBL4927822 0.85 HRH3 (0.47) HDAC6HDAC3HDAC8SMYD3MEN1
SCHEMBL4130983 0.81 HRH3 (0.45) HDAC6HDAC8MEN1KMT2AMAPT
SCHEMBL4140495 0.77 USP2 (0.55) HDAC6HDAC3HDAC8USP2MEN1
SCHEMBL4147027 0.76 HRH3 (0.47) HDAC6HDAC3HDAC8USP2SMYD3
SCHEMBL4130762 0.76 ITGB3 (0.49) HDAC6HDAC3HDAC8USP2PARP1
SCHEMBL4142700 0.76 ALDH1A1 (0.44) HDAC6HDAC3HDAC8USP2ITGB3
SCHEMBL4293373 0.75 HRH3 (0.47) HDAC6HDAC3HDAC8PARP1ITGB3

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 6 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

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 HDAC6 298/4885HDAC3 124/4885HDAC8 176/4885

“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.