SCHEMBL1506595

SCHEMBL1506595

CCCCCC1=NC(NC(=O)OC(C)(C)C)C(=O)N(Cc2ccc(OC)cc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.39
CCKAR P32238 2/20 0.39
SCN9A Q15858 4/20 0.39
BDKRB1 P46663 2/20 0.39
SRC P12931 2/20 0.38
ACHE P22303 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
SCHEMBL12781048 0.85 SCN9A (0.42) CCKBRCCKARSCN9ASRC
SCHEMBL6517624 0.81 KCNH2 (0.45) CCKBRCCKARSCN9A
SCHEMBL12781055 0.80 CCKBR (0.43) CCKBRCCKARSCN9A
SCHEMBL16498272 0.78 KCNH2 (0.43) CCKBRCCKARSCN9A
SCHEMBL7543309 0.78 CCKBR (0.47) CCKBRSCN9ABDKRB1
SCHEMBL7543311 0.78 CCKBR (0.47) CCKBRSCN9ABDKRB1
SCHEMBL16498120 0.78 CCKBR (0.42) CCKBRCCKARSCN9A
SCHEMBL7417336 0.72 NPY1R (0.51) CCKBRSCN9A
SCHEMBL8610939 0.71 SENP1 (0.70) CCKBRSCN9A
SCHEMBL6516243 0.70 CCKBR (0.49) CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011027156-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 WO disclosed
US-20110059043-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 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-20110059043-A1 CHEMICAL COMPOUNDS CYP2E1, CNR1, CYP3A5 CCKBR 180/4885CCKAR 183/4885SCN9A 2227/4885

“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.