SCHEMBL4128900

SCHEMBL4128900

CNC(=O)c1ccc(N2CCCC3(CC2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
L3MBTL3 Q96JM7 2/20 0.43
MBTD1 Q05BQ5 1/20 0.43
TP53BP1 Q12888 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
SMYD3 Q9H7B4 2/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
MCL1 Q07820 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MMP2 P08253 3/20 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
SCHEMBL4927822 0.98 HRH3 (0.47) HRH3HDAC6KMT2AMEN1L3MBTL1
SCHEMBL4136937 0.96 HRH3 (0.50) HRH3HDAC6KMT2AMEN1L3MBTL1
SCHEMBL4131567 0.94 HRH3 (0.47) HRH3HDAC6KMT2AMEN1L3MBTL1
SCHEMBL4130983 0.87 HRH3 (0.45) HRH3HDAC6KMT2AMEN1L3MBTL1
SCHEMBL4139979 0.85 HDAC6 (0.42) HRH3HDAC6KMT2AMEN1L3MBTL1
SCHEMBL4147027 0.85 HRH3 (0.47) HRH3HDAC6KMT2AMEN1L3MBTL1
SCHEMBL4293373 0.84 HRH3 (0.47) HRH3HDAC6KMT2AMEN1L3MBTL1
SCHEMBL4935637 0.83 SMYD3 (0.58) HRH3HDAC6KMT2AMEN1L3MBTL1
SCHEMBL4134903 0.83 SMYD3 (0.55) HRH3KMT2AMEN1L3MBTL1L3MBTL3
SCHEMBL4136511 0.83 KMT2A (0.62) HRH3KMT2AMEN1L3MBTL1L3MBTL3

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 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
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
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 1/4885HDAC6 298/4885KMT2A 270/4885

“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.