SCHEMBL961978

SCHEMBL961978

O=C(NCCO)c1cccc(-c2cccc(OCCc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 1.00
CDK8 P49336 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47

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
SCHEMBL960922 0.89 GPR52 (0.81) GPR52CDK8
SCHEMBL959767 0.88 GPR52 (0.80) GPR52CDK8MAP4K4ABL1BCR
SCHEMBL959337 0.86 GPR52 (0.75) GPR52MAP4K4ABL1BCR
SCHEMBL960607 0.85 GPR52 (0.74) GPR52CDK8MRGPRX4
SCHEMBL959859 0.84 GPR52 (0.73) GPR52MAP4K4
SCHEMBL962167 0.83 GPR52 (0.71) GPR52CDK8MRGPRX4
SCHEMBL12919059 0.81 GPR52 (0.69) GPR52MAP4K4
SCHEMBL961206 0.77 GPR52 (0.63) GPR52
SCHEMBL961663 0.77 GPR52 (0.64) GPR52CDK8MAP4K4
SCHEMBL12919123 0.77 GPR52 (0.62) GPR52

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 6 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 claimed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP claimed
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 23/4885CDK8 3427/4885MRGPRX4 133/4885

“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.