SCHEMBL13033253

SCHEMBL13033253

c1ccc([PH](CC2CCOC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KCNH3 Q9ULD8 1/20 0.34
MCHR1 Q99705 1/20 0.33
TLR7 Q9NYK1 7/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
TRPC5 Q9UL62 1/20 0.32
NAMPT P43490 5/20 0.32
TLR8 Q9NR97 1/20 0.31
FFAR2 O15552 1/20 0.31

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
SCHEMBL13712004 0.89 KDM1A (0.40) CNR1CNR2KDM1AMAOAMAOB
SCHEMBL5519016 0.78 GBA1 (0.34)
Bromide SCHEMBL28426746 0.77 GBA1 (0.33)
SCHEMBL10037070 0.75 EPHX2 (0.37) KDM1AMAOAMAOB
SCHEMBL13331319 0.74 GBA1 (0.30)
SCHEMBL24310936 0.73 EPHX2 (0.40) KDM1AMAOAMAOB
SCHEMBL22906294 0.73 EPHX2 (0.40) KDM1AMAOAMAOB
SCHEMBL22893117 0.73 EPHX2 (0.40) KDM1AMAOAMAOB
SCHEMBL22893113 0.73 EPHX2 (0.40) KDM1AMAOAMAOB
Iodide SCHEMBL2647139 0.73 EPHX2 (0.36) KDM1AMAOAMAOB

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-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US 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 (2 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-20100286171-A1 PHENYLACETAMIDE DERIVATIVE AADAC, PGC, PC CNR1 1266/4885CNR2 260/4885KDM1A 1950/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR CNR1 2388/4885CNR2 900/4885KDM1A 2866/4885

“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.