SCHEMBL1849327

SCHEMBL1849327

COc1cccc2oc(Cc3cccc(C(F)(F)F)c3)c(C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ALOX5 P09917 1/20 0.45
GPR52 Q9Y2T5 2/20 0.42
MAOB P27338 1/20 0.42
ABHD6 Q9BV23 1/20 0.41
EDNRA P25101 1/20 0.41
SCD O00767 2/20 0.40
IDO1 P14902 2/20 0.40
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
APLNR P35414 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3198348 0.84 MAOB (0.40) MTNR1AMTNR1BALOX5GPR52MAOB
SCHEMBL1848567 0.82 ALOX5 (0.56) MTNR1AMTNR1BALOX5GPR52MAOB
SCHEMBL1848465 0.82 MAOB (0.38) MTNR1AMTNR1BALOX5GPR52MAOB
Bromide SCHEMBL1852155 0.81 ALOX5 (0.54) MTNR1AMTNR1BALOX5GPR52MAOB
SCHEMBL1852157 0.79 ALOX5 (0.52) MTNR1AMTNR1BALOX5GPR52MAOB
SCHEMBL1852178 0.73 GPR52 (0.56) MTNR1AMTNR1BGPR52
SCHEMBL1851953 0.71 EDNRA (0.57) MAOBEDNRAKDM4EMAPT
SCHEMBL1855422 0.69 GPR52 (0.53) MTNR1AMTNR1BGPR52MAOBIDO1
SCHEMBL24751493 0.69 GAA (0.66) GPR52MAOBSCDIDO1PTPN7
SCHEMBL31697664 0.69 GAA (0.66) GPR52MAOBSCDIDO1PTPN7

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 MTNR1A 108/4885MTNR1B 162/4885ALOX5 1771/4885

“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.