SCHEMBL4129322

SCHEMBL4129322

COC[C@@H]1CCCN1Cc1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC1 Q13547 1/20 0.49
L3MBTL3 Q96JM7 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
VEGFA P15692 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
TP53BP1 Q12888 1/20 0.36
MAPK1 P28482 1/20 0.35
MBTPS1 Q14703 1/20 0.35
WIZ O95785 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PNP P00491 1/20 0.35

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
SCHEMBL4138950 1.00 HDAC8 (0.49) HDAC8HDAC6HDAC1L3MBTL3L3MBTL1
SCHEMBL4137001 0.85 MAPK1 (0.46) L3MBTL3L3MBTL1HRH3POLBMBTD1
SCHEMBL4127955 0.83 HRH3 (0.47) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1
SCHEMBL4134962 0.80 L3MBTL3 (0.45) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1
SCHEMBL4135288 0.80 ALDH1A1 (0.52) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1
SCHEMBL4936183 0.78 POLB (0.46) L3MBTL3L3MBTL1HRH3POLBMBTD1
SCHEMBL4125538 0.78 POLB (0.46) L3MBTL3L3MBTL1HRH3POLBMBTD1
SCHEMBL4135765 0.77 L3MBTL3 (0.70) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1
SCHEMBL4130526 0.76 L3MBTL3 (0.68) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1
SCHEMBL4130764 0.76 L3MBTL3 (0.68) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1

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 5 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
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 HDAC8 176/4885HDAC6 298/4885HDAC1 22/4885

“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.