SCHEMBL961663

SCHEMBL961663

N#CCCNC(=O)c1cccc(-c2cccc(OCCc3cccc(F)c3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.64
MAPT P10636 1/20 0.43
NAMPT P43490 2/20 0.41
GAA P10253 2/20 0.40
PRKD1 Q15139 1/20 0.40
CDK8 P49336 1/20 0.40
KISS1R Q969F8 2/20 0.40
PTAFR P25105 1/20 0.40
SNCA P37840 1/20 0.39
GUSB P08236 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
LMNA P02545 1/20 0.39
MAP4K4 O95819 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL959767 0.89 GPR52 (0.80) GPR52MAPTGAACDK8SNCA
SCHEMBL960922 0.89 GPR52 (0.81) GPR52CDK8CTSL
SCHEMBL959095 0.88 GPR52 (0.59) GPR52MAPTNAMPTAURKA
SCHEMBL958328 0.81 GPR52 (0.57) GPR52
SCHEMBL962209 0.80 GPR52 (0.46) GPR52MAPTPRKD1KISS1RCTSL
SCHEMBL960541 0.78 GPR52 (0.54) GPR52MAPTGAALMNA
SCHEMBL959337 0.77 GPR52 (0.75) GPR52MAPTLMNAMAP4K4
SCHEMBL961978 0.77 GPR52 (1.00) GPR52CDK8MAP4K4
SCHEMBL961206 0.77 GPR52 (0.63) GPR52NAMPTAURKA
SCHEMBL959859 0.76 GPR52 (0.73) GPR52NAMPTMAP4K4AURKA

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 GPR52 23/4885MAPT 4154/4885NAMPT 3823/4885

“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.