SCHEMBL484448

SCHEMBL484448

COc1cc(C)c(C(=O)NC2CCc3ccc(C(=O)N4CCC5(CCN(C(=O)c6cc(C)nn6C(C)(C)C)CC5)C4)cc32)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.39
CYP3A4 P08684 9/20 0.37
USP2 O75604 5/20 0.37
CYP2C9 P11712 5/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 4/20 0.36
MAPK1 P28482 2/20 0.36
CYP2D6 P10635 1/20 0.36
NAMPT P43490 1/20 0.36
CYP1A2 P05177 4/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2819035 0.87 WDR5 (0.39) WDR5CYP3A4USP2CYP2C9ALDH1A1
SCHEMBL484655 0.86 ALDH1A1 (0.39) WDR5ALDH1A1NAMPT
SCHEMBL2819030 0.85 NAMPT (0.37) WDR5CYP3A4USP2ALDH1A1TSHR
SCHEMBL2817881 0.84 WDR5 (0.42) WDR5CYP3A4USP2CYP2C9ALDH1A1
SCHEMBL485226 0.82 ALDH1A1 (0.40) WDR5ALDH1A1NAMPT
SCHEMBL484292 0.82 CYP3A4 (0.53) WDR5CYP3A4USP2CYP2C9ALDH1A1
SCHEMBL484115 0.82 CYP3A4 (0.51) WDR5CYP3A4USP2CYP2C9ALDH1A1
SCHEMBL484665 0.79 CYP3A4 (0.57) WDR5CYP3A4USP2CYP2C9ALDH1A1
SCHEMBL484621 0.77 USP2 (0.45) WDR5CYP3A4USP2CYP2C9ALDH1A1
SCHEMBL484536 0.77 CYP3A4 (0.44) WDR5CYP3A4USP2CYP2C9ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN WDR5 1762/4885CYP3A4 3781/4885USP2 4864/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN WDR5 1762/4885CYP3A4 3781/4885USP2 4864/4885

“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.