SCHEMBL4134768

SCHEMBL4134768

COCCN1CCN(c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.45
CDK6 Q00534 2/20 0.45
GPR119 Q8TDV5 1/20 0.44
AURKA O14965 1/20 0.43
HRH3 Q9Y5N1 9/20 0.40
MAP4K4 O95819 1/20 0.39
SYK P43405 1/20 0.37
RET P07949 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
DGAT1 O75907 1/20 0.36

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
SCHEMBL4130776 0.86 KDM4E (0.46) CDK4CDK6AURKAHRH3RET
SCHEMBL4131128 0.86 RET (0.36) CDK4HRH3RETTLR7DRD2
SCHEMBL4934963 0.85 HRH4 (0.41) CDK4CDK6HRH3DGAT1
SCHEMBL14387371 0.84 DGAT1 (0.35) HRH3DGAT1
SCHEMBL4130913 0.84 ALOX15 (0.39) CDK4HRH3TLR7DRD2DRD1
SCHEMBL4125756 0.84 RAD52 (0.38) CDK4HRH3TLR7DGAT1
SCHEMBL4147059 0.84 HRH3 (0.45) CDK4HRH3DGAT1
SCHEMBL4931819 0.83 HRH3 (0.49) HRH3TLR7
SCHEMBL4130522 0.83 MAPT (0.52) HRH3DRD2
SCHEMBL4130945 0.83 HRH3 (0.43) HRH3DGAT1

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 CDK4 2945/4885CDK6 1532/4885GPR119 258/4885

“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.