SCHEMBL3553048

SCHEMBL3553048

Cc1cn(C(C(=O)O)c2ccc(F)c(F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AKR1C3 P42330 6/20 0.39
AKR1C2 P52895 6/20 0.39
MME P08473 1/20 0.36
TP53 P04637 1/20 0.35
PTGS2 P35354 3/20 0.35
MAPK1 P28482 2/20 0.34
APP P05067 1/20 0.34
PTGS1 P23219 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
FABP2 P12104 1/20 0.33
TSHR P16473 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
SCHEMBL3554565 0.77 CYP26A1 (0.42) CES2CES1AKR1C3AKR1C2MME
SCHEMBL3557174 0.75 CES2 (0.46) CES2CES1AKR1C3AKR1C2MME
SCHEMBL3553793 0.69 ADRA1A (0.42) CES2CES1TSHRCYP1A2MAPT
SCHEMBL4453713 0.68 ALDH1A1 (0.41) LMNAMAPT
SCHEMBL3554695 0.68 CES2 (0.42) CES2CES1AKR1C3AKR1C2MME
SCHEMBL3559530 0.67 ADRA1A (0.42) CES2CES1AKR1C3AKR1C2MME
SCHEMBL3553768 0.67 MCHR1 (0.42) CES2CES1AKR1C3AKR1C2MME
SCHEMBL3562199 0.67 CYP19A1 (0.42) CES2CES1AKR1C3AKR1C2MME
SCHEMBL29234621 0.66 CES2 (0.43) CES2CES1AKR1C3AKR1C2MME
SCHEMBL30968936 0.66 CES2 (0.43) 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 CES2 1865/4885CES1 2157/4885AKR1C3 452/4885

“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.