SCHEMBL961657

SCHEMBL961657

CC(C)(CO)NC(=O)c1cccc(-c2cccc(Oc3cc(Cl)cc(Cl)c3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.53
GPR52 Q9Y2T5 2/20 0.44
CNR2 P34972 5/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GRM5 P41594 3/20 0.41
ROCK1 Q13464 1/20 0.41
CNR1 P21554 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA5 P31644 1/20 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
SCHEMBL958467 0.82 GPR52 (0.63) MAP4K4GPR52GRM5BCL2L1MCL1
SCHEMBL959832 0.81 GPR52 (0.46) MAP4K4GPR52CNR2GRM5CNR1
SCHEMBL958528 0.80 GPR52 (0.56) MAP4K4GPR52GRM5BCL2L1MCL1
SCHEMBL958267 0.80 L3MBTL1 (0.60) GPR52NPC1RAB9AGRM5CNR1
SCHEMBL959942 0.79 RXRA (0.56) GPR52NPC1RAB9AGRM5CNR1
SCHEMBL957800 0.79 GPR52 (0.50) MAP4K4GPR52NPC1RAB9AGRM5
SCHEMBL13070415 0.79 MAP4K4 (0.46) MAP4K4GPR52GRM5ROCK1
SCHEMBL964554 0.79 LOX (0.49) GPR52CNR2GRM5ROCK1BCL2L1
SCHEMBL957908 0.77 GPR52 (0.49) MAP4K4GPR52CNR2GRM5CNR1
SCHEMBL964557 0.77 GPR52 (0.50) MAP4K4GPR52GRM5CNR1L3MBTL1

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 5 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
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 MAP4K4 2519/4885GPR52 23/4885CNR2 36/4885

“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.