SCHEMBL3556231

SCHEMBL3556231

O=C(O)C(c1ccc(F)c(F)c1)N1CCOC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NAAA Q02083 4/20 0.36
FAAH O00519 3/20 0.36
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MME P08473 1/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PER2 O15055 1/20 0.33
CRY2 Q49AN0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
XIAP P98170 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL10442245 0.80 KDM4E (0.50) KDM4ENAAAFAAHALDH1A1ALOX15
SCHEMBL3556189 0.78 MCHR1 (0.44) HSD11B1CES2CES1ALDH1A1TSHR
SCHEMBL3557183 0.77 MCHR1 (0.41) HSD11B1CES2CES1KDM4EALDH1A1
SCHEMBL3558324 0.70 MCHR1 (0.49) HSD11B1CES2CES1DPP4ALDH1A1
SCHEMBL3557174 0.69 CES2 (0.46) CES2CES1AKR1C3AKR1C2MME
SCHEMBL6820802 0.69 KDM4E (0.51) KDM4ENAAAFAAHALDH1A1ALOX15
SCHEMBL8151147 0.69 KDM4E (0.48) KDM4ENAAAFAAHALDH1A1ALOX15
SCHEMBL30252357 0.69 KDM4E (0.48) KDM4ENAAAFAAHALDH1A1ALOX15
SCHEMBL30968942 0.69 CES2 (0.43) HSD11B1CES2CES1AKR1C3AKR1C2
SCHEMBL3554695 0.68 CES2 (0.42) CES2CES1AKR1C3AKR1C2MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR HSD11B1 824/4885CES2 1865/4885CES1 2157/4885

“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.