SCHEMBL4130274

SCHEMBL4130274

CCN(CC)C1CCN(c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.43
CDK6 Q00534 3/20 0.43
CCND1 P24385 3/20 0.40
CDK2 P24941 3/20 0.40
HRH3 Q9Y5N1 8/20 0.38

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
SCHEMBL4140045 0.95 CDK4 (0.40) CDK4CDK6CCND1CDK2HRH3
SCHEMBL4422276 0.92 HRH3 (0.37) CDK4CDK6HRH3
SCHEMBL4139732 0.88 MCHR1 (0.43) CDK4CDK6CDK2HRH3
SCHEMBL4130682 0.85 MCHR1 (0.49) CDK4CDK6HRH3
SCHEMBL4131366 0.85 MAPT (0.43) HRH3
SCHEMBL4136714 0.84 L3MBTL3 (0.51) CDK4HRH3
SCHEMBL4130945 0.84 HRH3 (0.43) HRH3
SCHEMBL4130776 0.84 KDM4E (0.46) CDK4CDK6CCND1CDK2HRH3
SCHEMBL4289427 0.83 L3MBTL3 (0.50) CDK4HRH3
SCHEMBL4938014 0.83 HRH3 (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 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 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

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 1532/4885CCND1 2887/4885

“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.