SCHEMBL2884096

SCHEMBL2884096

CC(C)(C)OC(=O)N1CCC(c2ccn(C(F)F)c(=O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.51
PDE4B Q07343 1/20 0.47
NAMPT P43490 1/20 0.47
DPP4 P27487 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
GPR119 Q8TDV5 6/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PTGS2 P35354 1/20 0.42
P2RY14 Q15391 1/20 0.42

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
SCHEMBL2883606 0.83 KDM4E (0.55) MAPTKDM4ETHRBPDE4BNAMPT
SCHEMBL19702757 0.77 DPP4 (0.55) MAPTKDM4ETHRBPDE4BNAMPT
SCHEMBL21523778 0.76 TP53 (0.56) MAPTKDM4ETHRBNAMPTGPR119
SCHEMBL31683618 0.75 KDM4E (0.56) MAPTKDM4ETHRBPDE4BNAMPT
SCHEMBL2594236 0.75 NAMPT (0.60) MAPTKDM4ETHRBNAMPTDDB1
SCHEMBL18805528 0.75 NAMPT (0.60) MAPTKDM4ETHRBNAMPTDDB1
SCHEMBL24309415 0.75 NAMPT (0.52) MAPTKDM4ETHRBPDE4BNAMPT
SCHEMBL20347002 0.75 NAMPT (0.52) MAPTKDM4ETHRBPDE4BNAMPT
SCHEMBL29567337 0.75 NAMPT (0.52) MAPTKDM4ETHRBPDE4BNAMPT
SCHEMBL30493305 0.75 NAMPT (0.52) MAPTKDM4ETHRBPDE4BNAMPT

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 MAPT 3948/4885KDM4E 2707/4885THRB 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.