SCHEMBL4130776

SCHEMBL4130776

CCN1CCN(c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.44
DGAT1 O75907 1/20 0.41
CDK4 P11802 3/20 0.41
CDK6 Q00534 3/20 0.41
HRH3 Q9Y5N1 8/20 0.38
AURKA O14965 1/20 0.38
RET P07949 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
AXL P30530 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
MERTK Q12866 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4147059 0.88 HRH3 (0.45) DGAT1CDK4HRH3
SCHEMBL4934963 0.87 HRH4 (0.41) KDM4EGAAKMT2ADGAT1CDK4
SCHEMBL4130945 0.87 HRH3 (0.43) KDM4EGAAKMT2ADGAT1HRH3
SCHEMBL4125756 0.87 RAD52 (0.38) KDM4EGAADGAT1CDK4HRH3
SCHEMBL14387371 0.87 DGAT1 (0.35) KDM4EGAAKMT2ADGAT1HRH3
SCHEMBL4134768 0.86 CDK4 (0.45) DGAT1CDK4CDK6HRH3AURKA
SCHEMBL4131128 0.86 RET (0.36) GAADGAT1CDK4HRH3RET
SCHEMBL4938014 0.86 HRH3 (0.42) KDM4EGAAKMT2ADGAT1HRH3
SCHEMBL4432576 0.85 L3MBTL1 (0.46) HRH3MAPT
SCHEMBL4137300 0.85 HRH3 (0.53) GAAKMT2ADGAT1HRH3

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 KDM4E 1025/4885GAA 1882/4885KMT2A 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.