SCHEMBL3554565

SCHEMBL3554565

Cc1nccn1C(C(=O)O)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1C3 P42330 7/20 0.39
AKR1C2 P52895 7/20 0.39
MME P08473 1/20 0.36
PTGS2 P35354 4/20 0.35
APP P05067 1/20 0.35
PTGS1 P23219 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FABP2 P12104 1/20 0.34
TSHR P16473 1/20 0.34
AKR1C4 P17516 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
AKR1C1 Q04828 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34

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
SCHEMBL19182926 0.78 NR3C2 (0.39) CYP26A1CES2CES1KMT2AKMO
SCHEMBL3553048 0.77 CES2 (0.39) CES2CES1AKR1C3AKR1C2MME
SCHEMBL3554695 0.74 CES2 (0.42) CES2CES1AKR1C3AKR1C2MME
SCHEMBL8928043 0.73 CYP26A1 (0.43) CYP26A1MEN1KMT2A
SCHEMBL3553768 0.73 MCHR1 (0.42) CES2CES1AKR1C3AKR1C2MME
SCHEMBL3559530 0.73 ADRA1A (0.42) CES2CES1AKR1C3AKR1C2MME
SCHEMBL3557174 0.73 CES2 (0.46) CES2CES1AKR1C3AKR1C2MME
SCHEMBL10688674 0.69 ALDH1A1 (0.44) CYP26A1MAPT
SCHEMBL315254 0.68 CYP26A1 (0.40) CYP26A1MEN1KMT2AMAPTCYP2C9
SCHEMBL3562199 0.68 CYP19A1 (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 CYP26A1 447/4885CES2 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.