SCHEMBL484229

SCHEMBL484229

COc1cc(C)c(C(=O)NC2CCc3ccc(C(=O)N4CCC5(CC4)CCC(c4ccc(F)cc4)(N(C)C)CC5)cc32)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.39
ALDH1A1 P00352 3/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD11B1 P28845 2/20 0.38
GPR183 P32249 3/20 0.36
PDE10A Q9Y233 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 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
SCHEMBL484621 0.88 USP2 (0.45) WDR5ALDH1A1USP2TSHRCYP3A4
SCHEMBL484240 0.84 ALDH1A1 (0.42) ALDH1A1HSD11B1MAPK1
SCHEMBL2817929 0.84 MAPK1 (0.35) TSHRCYP3A4HSD11B1GPR183PDE10A
SCHEMBL484665 0.80 CYP3A4 (0.57) WDR5ALDH1A1USP2TSHRCYP3A4
SCHEMBL484271 0.80 ALDH1A1 (0.45) ALDH1A1HSD11B1MAPK1
SCHEMBL484536 0.80 CYP3A4 (0.44) WDR5ALDH1A1USP2TSHRCYP3A4
SCHEMBL2817881 0.79 WDR5 (0.42) WDR5ALDH1A1USP2TSHRCYP3A4
SCHEMBL484437 0.79 CYP3A4 (0.59) ALDH1A1USP2TSHRCYP3A4SMN1; SMN2
SCHEMBL484824 0.78 CYP3A4 (0.45) WDR5ALDH1A1USP2TSHRCYP3A4
SCHEMBL484292 0.78 CYP3A4 (0.53) WDR5ALDH1A1USP2TSHRCYP3A4

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 10 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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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 1762/4885ALDH1A1 2086/4885USP2 4864/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN WDR5 1762/4885ALDH1A1 2086/4885USP2 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.