SCHEMBL3198348

SCHEMBL3198348

Cc1c(Cc2cccc(C(F)(F)F)c2)oc2cccc(OS(=O)(=O)C(F)(F)F)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTR2B P41595 1/20 0.39
SLC26A3 P40879 5/20 0.38
ALOX5 P09917 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
NR3C1 P04150 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
EDNRA P25101 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
IDO1 P14902 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL1848465 0.97 MAOB (0.38) MAOBMTNR1AMTNR1BHTR2BSLC26A3
SCHEMBL1858690 0.87 GPR52 (0.48) MTNR1AMTNR1BGPR52
SCHEMBL1849327 0.84 MTNR1A (0.46) MAOBMTNR1AMTNR1BHTR2BALOX5
SCHEMBL1848567 0.79 ALOX5 (0.56) MAOBMTNR1AMTNR1BHTR2BSLC26A3
Bromide SCHEMBL1852155 0.78 ALOX5 (0.54) MAOBMTNR1AMTNR1BHTR2BSLC26A3
SCHEMBL1858526 0.77 MAPT (0.39) HTR2BABHD6IDO1
SCHEMBL1852157 0.76 ALOX5 (0.52) MAOBMTNR1AMTNR1BHTR2BSLC26A3
SCHEMBL1854575 0.73 HTR2B (0.42) HTR2B
SCHEMBL1852178 0.72 GPR52 (0.56) MTNR1AMTNR1BGPR52
SCHEMBL27611980 0.71 EDNRA (0.64) EDNRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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 (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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 MAOB 1106/4885MTNR1A 108/4885MTNR1B 162/4885

“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.