SCHEMBL962349

SCHEMBL962349

CC(C)(O)CCNC(=O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.45
CNR2 P34972 6/20 0.41
CNR1 P21554 2/20 0.39
CCKBR P32239 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
PTGDR Q13258 1/20 0.38
SNCA P37840 2/20 0.37

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
SCHEMBL956572 0.90 GPR52 (0.48) GPR52CNR1MRGPRX4HPGDLMNA
SCHEMBL960594 0.84 CTSL (0.44) GPR52CNR1SLC6A2SLC6A4SLC6A3
SCHEMBL957882 0.82 MAP4K4 (0.54) KMT2A
SCHEMBL958072 0.80 L3MBTL1 (0.51) CNR2CNR1MRGPRX4KMT2ASMN1; SMN2
SCHEMBL959319 0.79 MRGPRX4 (0.61) CNR1MRGPRX4MAPTPTGDR
SCHEMBL958289 0.79 KDR (0.50) GPR52MRGPRX4KMT2ASMN1; SMN2GAA
SCHEMBL961250 0.78 GPR52 (0.56) GPR52MRGPRX4HPGDKMT2ASMN1; SMN2
SCHEMBL963502 0.77 GPR52 (0.46) GPR52CNR1HPGDKMT2ASMN1; SMN2
SCHEMBL960008 0.76 MRGPRX4 (0.53) GPR52MRGPRX4
SCHEMBL959210 0.76 CNR2 (0.56) CNR2CNR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 GPR52 23/4885CNR2 36/4885CNR1 63/4885

“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.