SCHEMBL4139732

SCHEMBL4139732

CN(C)C1CCN(c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
CDK4 P11802 9/20 0.42
CDK6 Q00534 5/20 0.42
CDK2 P24941 2/20 0.41
CDK1 P06493 1/20 0.41
HRH3 Q9Y5N1 6/20 0.40
CCNE1 P24864 1/20 0.39
HSF1 Q00613 1/20 0.39
EGFR P00533 2/20 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
SCHEMBL4130682 0.94 MCHR1 (0.49) MCHR1CDK4CDK6HRH3
SCHEMBL4130274 0.88 CDK4 (0.43) CDK4CDK6CDK2HRH3
SCHEMBL4131366 0.87 MAPT (0.43) HRH3
SCHEMBL4136714 0.87 L3MBTL3 (0.51) CDK4HRH3
SCHEMBL4130945 0.87 HRH3 (0.43) HRH3
SCHEMBL4422276 0.86 HRH3 (0.37) MCHR1CDK4CDK6HRH3
SCHEMBL4289427 0.86 L3MBTL3 (0.50) CDK4HRH3
SCHEMBL4938014 0.86 HRH3 (0.42) HRH3
SCHEMBL4147059 0.86 HRH3 (0.45) CDK4HRH3
SCHEMBL4286340 0.85 MAPT (0.42) HRH3

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 MCHR1 175/4885CDK4 2945/4885CDK6 1532/4885

“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.