SCHEMBL1855573

SCHEMBL1855573

Cc1c(Cc2cccc(C(F)(F)F)c2)oc2c(B3OC(C)(C)C(C)(C)O3)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.48
MAOB P27338 1/20 0.36
SLC26A3 P40879 4/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
JAK2 O60674 1/20 0.34
BTK Q06187 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MAPT P10636 3/20 0.33
ABHD6 Q9BV23 1/20 0.33
MIF P14174 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1855422 0.78 GPR52 (0.53) GPR52MAOBSLC26A3HTR2AHTR2C
SCHEMBL3215860 0.76 GPR52 (0.45) GPR52MAOBHTR2AHTR2CHTR2B
SCHEMBL3196244 0.72 GPR52 (0.45) GPR52HTR2AHTR2CHTR2B
SCHEMBL1850060 0.69 GPR52 (0.76) GPR52SLC26A3
SCHEMBL21177656 0.69 LPL (0.39) JAK2BTKKMT2AMEN1
SCHEMBL3217555 0.68 GPR52 (0.47) GPR52HTR2AHTR2CHTR2BMAPT
SCHEMBL17894203 0.67 LIPG (0.54) MAOBHTR2AHTR2CHTR2BMIF
SCHEMBL12890162 0.67 HTR2A (0.47) MAOBHTR2AHTR2CHTR2BMAPT
SCHEMBL1848567 0.65 ALOX5 (0.56) GPR52MAOBSLC26A3HTR2AHTR2C
SCHEMBL31414586 0.65 MEN1 (0.57) KMT2AMEN1TDP1GAA

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
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
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 GPR52 1/4885MAOB 1106/4885SLC26A3 788/4885

“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.