SCHEMBL1855422

SCHEMBL1855422

Cc1c(Cc2cccc(C(F)(F)F)c2)oc2c(Br)cccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.53
SLC26A3 P40879 4/20 0.41
MAOB P27338 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
IDO1 P14902 2/20 0.38
DAO P14920 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACP3 P15309 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL1851338 0.84 GPR52 (0.69) GPR52SLC26A3
SCHEMBL1852420 0.81 GPR52 (0.55) GPR52SLC26A3HTR2B
SCHEMBL1855573 0.78 GPR52 (0.48) GPR52SLC26A3MAOBHTR2AHTR2C
SCHEMBL1850060 0.75 GPR52 (0.76) GPR52SLC26A3
SCHEMBL1854629 0.73 KMT2A (0.42) HTR2AHTR2CHTR2BTAAR1IDO1
SCHEMBL3210843 0.73 TAAR1 (0.42) GPR52HTR2AHTR2CHTR2BTAAR1
SCHEMBL1847848 0.73 GPR52 (0.51) GPR52MAOBHTR2AHTR2CHTR2B
SCHEMBL1852125 0.72 GPR52 (0.59) GPR52SLC26A3HTR2B
SCHEMBL8037995 0.72 LOXL2 (0.40) MAOBHTR2AHTR2BMAPTKMT2A
SCHEMBL1848567 0.71 ALOX5 (0.56) GPR52SLC26A3MAOBHTR2AHTR2C

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 1/4885SLC26A3 788/4885MAOB 1106/4885

“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.