SCHEMBL2819035

SCHEMBL2819035

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 6/20 0.39
NAMPT P43490 1/20 0.37
CYP3A4 P08684 7/20 0.34
USP2 O75604 5/20 0.34
CYP2C9 P11712 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
MAPK1 P28482 2/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PROKR1 Q8TCW9 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL484448 0.87 WDR5 (0.39) WDR5NAMPTCYP3A4USP2CYP2C9
SCHEMBL485797 0.85 ALDH1A1 (0.39) NAMPTALDH1A1
SCHEMBL2817890 0.84 NAMPT (0.38) NAMPT
SCHEMBL2817881 0.83 WDR5 (0.42) WDR5NAMPTCYP3A4USP2CYP2C9
SCHEMBL485025 0.81 ALDH1A1 (0.40) NAMPTALDH1A1
SCHEMBL484292 0.81 CYP3A4 (0.53) WDR5CYP3A4USP2CYP2C9ALDH1A1
SCHEMBL484115 0.81 CYP3A4 (0.51) WDR5CYP3A4USP2CYP2C9ALDH1A1
SCHEMBL484665 0.78 CYP3A4 (0.57) WDR5CYP3A4USP2CYP2C9ALDH1A1
SCHEMBL484621 0.77 USP2 (0.45) WDR5CYP3A4USP2CYP2C9ALDH1A1
SCHEMBL484437 0.76 CYP3A4 (0.59) CYP3A4USP2CYP2C9ALDH1A1TSHR

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
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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (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 1762/4885NAMPT 2232/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN WDR5 1762/4885NAMPT 2232/4885CYP3A4 3781/4885

“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.