SCHEMBL1855792

SCHEMBL1855792

O=C(O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)nc23)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 9/20 0.51
NR4A2 P43354 2/20 0.46
CNR2 P34972 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41

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
SCHEMBL3212707 0.86 GPR52 (0.71) GPR52CNR2
SCHEMBL1854531 0.85 GPR52 (0.52) GPR52NR4A2CNR2MRGPRX4KMT2A
SCHEMBL1854536 0.83 GPR52 (0.57) GPR52CNR2ALDH1A1
SCHEMBL1847900 0.80 GPR52 (0.75) GPR52NR4A2MRGPRX4KMT2AKDM4E
SCHEMBL1852178 0.79 GPR52 (0.56) GPR52NR4A2MRGPRX4KDM4C
SCHEMBL3206903 0.79 GPR52 (0.51) GPR52NR4A2CNR2MRGPRX4KMT2A
SCHEMBL1849964 0.78 GPR52 (0.75) GPR52NR4A2MRGPRX4KMT2AKDM4E
SCHEMBL1851314 0.78 ACSL1 (0.47) GPR52NR4A2CNR2MRGPRX4KMT2A
SCHEMBL1857128 0.77 HTR2B (0.47) KMT2AMAPTTDP1NPC1RAB9A
SCHEMBL1853402 0.76 GPR52 (0.75) GPR52NR4A2

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 1/4885NR4A2 8/4885CNR2 6/4885

“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.