SCHEMBL3553793

SCHEMBL3553793

O=C(O)C(c1ccc(F)c(F)c1)n1cncn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.42
MCHR1 Q99705 1/20 0.42
CYP19A1 P11511 13/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP26A1 O43174 4/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP11B1 P15538 1/20 0.36
TSHR P16473 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 1/20 0.36

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 0.77 MCHR1 (0.42) ADRA1AMCHR1CES2CES1CYP2C19
SCHEMBL3559530 0.74 ADRA1A (0.42) ADRA1AMCHR1CYP19A1CES2CES1
SCHEMBL3562199 0.74 CYP19A1 (0.42) CYP19A1CES2CES1CYP2C19CYP2C9
SCHEMBL3557174 0.71 CES2 (0.46) CES2CES1CYP2C19CYP1A2CYP2C9
SCHEMBL27328820 0.70 CYP19A1 (0.63) CYP19A1CYP3A4CYP11B1
SCHEMBL3553048 0.69 CES2 (0.39) CES2CES1CYP2C19CYP1A2CYP2C9
SCHEMBL3554565 0.68 CYP26A1 (0.42) CES2CES1CYP26A1CYP2C19CYP1A2
SCHEMBL29234621 0.68 CES2 (0.43) CES2CES1CYP2C19CYP1A2CYP2C9
SCHEMBL30968936 0.68 CES2 (0.43) CES2CES1CYP2C19CYP1A2CYP2C9
SCHEMBL7970825 0.67 CES2 (0.52) CES2CES1CYP3A4CYP2C19CYP1A2

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.