SCHEMBL2883606

SCHEMBL2883606

Cn1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
NAMPT P43490 1/20 0.50
PDE4B Q07343 1/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
GPR119 Q8TDV5 8/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SCN9A Q15858 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
SCHEMBL2884096 0.83 MAPT (0.51) KDM4EMAPTTHRBNAMPTPDE4B
SCHEMBL23411311 0.83 NAMPT (0.49) KDM4EMAPTTHRBNAMPTPDE4B
SCHEMBL29891481 0.83 NAMPT (0.49) KDM4EMAPTTHRBNAMPTPDE4B
SCHEMBL31728977 0.83 NAMPT (0.49) KDM4EMAPTTHRBNAMPTPDE4B
SCHEMBL13625518 0.82 PDE4B (0.48) KDM4EMAPTTHRBPDE4BGPR119
SCHEMBL1071461 0.82 PDE4B (0.48) KDM4EMAPTTHRBPDE4BGPR119
SCHEMBL1518501 0.82 PDE4B (0.48) KDM4EMAPTTHRBPDE4BGPR119
SCHEMBL1071462 0.82 PDE4B (0.48) KDM4EMAPTTHRBPDE4BGPR119
SCHEMBL1071459 0.82 PDE4B (0.48) KDM4EMAPTTHRBPDE4BGPR119
SCHEMBL23411339 0.79 KDM4E (0.52) KDM4EMAPTTHRBNAMPTPDE4B

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.