SCHEMBL3559530

SCHEMBL3559530

O=C(O)C(c1ccc(F)c(F)c1)n1ccnn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.42
MCHR1 Q99705 1/20 0.42
CYP19A1 P11511 7/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
MME P08473 1/20 0.34
ROCK2 O75116 1/20 0.33
APP P05067 1/20 0.33
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL3553768 0.80 MCHR1 (0.42) ADRA1AMCHR1CES2CES1AKR1C3
SCHEMBL3562199 0.77 CYP19A1 (0.42) CYP19A1CES2CES1AKR1C3AKR1C2
SCHEMBL3553793 0.74 ADRA1A (0.42) ADRA1AMCHR1CYP19A1CES2CES1
SCHEMBL3557174 0.74 CES2 (0.46) CES2CES1AKR1C3AKR1C2MME
SCHEMBL3554565 0.73 CYP26A1 (0.42) CES2CES1AKR1C3AKR1C2MME
SCHEMBL3554695 0.70 CES2 (0.42) CES2CES1AKR1C3AKR1C2MME
SCHEMBL17825837 0.68 CYP19A1 (0.59) CYP19A1
SCHEMBL4316311 0.68 CYP19A1 (0.47) CYP19A1DPP4
SCHEMBL31091372 0.68 HSD17B10 (0.56) CES2CES1AKR1C3AKR1C2MME
SCHEMBL29234621 0.68 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 ADRA1A 43/4885MCHR1 1/4885CYP19A1 156/4885

“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.