SCHEMBL2883887

SCHEMBL2883887

CC(C)(C)OC(=O)N1CCC(c2cc[nH]c(=O)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
THRB P10828 1/20 0.60
NAMPT P43490 1/20 0.52
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
PDE4B Q07343 1/20 0.47
HTT P42858 1/20 0.47
GPR119 Q8TDV5 6/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
CNR1 P21554 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL25308185 0.93 PDE4B (0.56) KDM4EMAPTTHRBNAMPTJAK2
SCHEMBL19839980 0.82 KDM4E (0.51) KDM4EMAPTTHRBNAMPTJAK2
SCHEMBL28677741 0.82 KDM4E (0.51) KDM4EMAPTTHRBNAMPTJAK2
SCHEMBL2332126 0.81 GPR119 (0.55) KDM4EMAPTTHRBPDE4BGPR119
SCHEMBL16262637 0.81 KDM4E (0.55) KDM4EMAPTTHRBNAMPTJAK2
SCHEMBL30355105 0.80 KDM4E (0.57) KDM4EMAPTTHRBNAMPTJAK2
SCHEMBL2883606 0.79 KDM4E (0.55) KDM4EMAPTTHRBNAMPTDDB1
SCHEMBL29081623 0.78 NPSR1 (0.43) KDM4EMAPTTHRBPDE4BHTT
SCHEMBL3843148 0.77 NAMPT (0.66) KDM4EMAPTTHRBNAMPTGPR119
SCHEMBL19702757 0.77 DPP4 (0.55) KDM4EMAPTTHRBNAMPTDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 KDM4E 2707/4885MAPT 3948/4885THRB 48/4885

“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.