SCHEMBL2817890

SCHEMBL2817890

Cn1nc(C(C)(C)C)cc1C(=O)N1CCC2(CCN(C(=O)c3ccc4c(c3)C(NC(=O)c3sccc3Cl)CC4)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
AR P10275 6/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
NAA50 Q9GZZ1 3/20 0.32
MAP3K7 O43318 1/20 0.32
EPHX2 P34913 1/20 0.32
VNN1 O95497 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
KCNH2 Q12809 2/20 0.31

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
SCHEMBL485797 0.88 ALDH1A1 (0.39) NAMPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL2819030 0.86 NAMPT (0.37) NAMPTARMAP3K7TAS1R3TAS1R1
SCHEMBL2820560 0.85 AR (0.34) ARTAS1R3TAS1R1HTR1ADRD2
SCHEMBL2819035 0.84 WDR5 (0.39) NAMPT
SCHEMBL485025 0.84 ALDH1A1 (0.40) NAMPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL2816762 0.82 NAMPT (0.41) NAMPTAR
SCHEMBL2818960 0.82 MTNR1B (0.35) AREPHX2TAS1R3TAS1R1HTR1A
SCHEMBL484524 0.81 ITGB3 (0.45) AR
SCHEMBL484232 0.81 CYP3A4 (0.42) AR
SCHEMBL485175 0.80 HSD11B1 (0.41) NAMPT

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 NAMPT 2232/4885AR 219/4885MAPK13 2464/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN NAMPT 2232/4885AR 219/4885MAPK13 2464/4885

“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.