SCHEMBL6516243

SCHEMBL6516243

COc1ccc(CN2C(=O)C(NC(=O)O)N=C(c3c(Cl)cccc3Cl)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.49
OXTR P30559 4/20 0.47
CCKAR P32238 3/20 0.47
TSHR P16473 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL6517828 0.89 KCNH2 (0.46) CCKBROXTRCCKARKCNH2
SCHEMBL6521354 0.86 CCKBR (0.46) CCKBROXTRCCKARKCNH2
SCHEMBL12781055 0.83 CCKBR (0.43) CCKBROXTRCCKARKCNH2
SCHEMBL6517624 0.83 KCNH2 (0.45) CCKBROXTRCCKARKCNH2
SCHEMBL6519307 0.82 TSHR (0.52) TSHR
SCHEMBL1505840 0.82 OXTR (0.47) CCKBROXTRCCKARTSHRKCNH2
SCHEMBL8610939 0.79 SENP1 (0.70) CCKBR
SCHEMBL16498272 0.78 KCNH2 (0.43) CCKBROXTRCCKARKCNH2
SCHEMBL18412752 0.78 CCKBR (0.54) CCKBRCCKAR
SCHEMBL14338827 0.77 CCKBR (0.61) CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 180/4885OXTR 489/4885CCKAR 183/4885

“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.