SCHEMBL1505840

SCHEMBL1505840

COc1ccc(CN2C(=O)C(NC(=O)O)N=C(c3c(Cl)cc(Cl)cc3CN3CCOCC3)c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.47
CCKBR P32239 8/20 0.43
KCNH2 Q12809 3/20 0.42
CBLB Q13191 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCKAR P32238 3/20 0.40

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 0.86 KCNH2 (0.46) OXTRCCKBRKCNH2CCKAR
SCHEMBL6521354 0.83 CCKBR (0.46) OXTRCCKBRKCNH2CCKAR
SCHEMBL6516243 0.82 CCKBR (0.49) OXTRCCKBRKCNH2TSHRCCKAR
SCHEMBL6517624 0.78 KCNH2 (0.45) OXTRCCKBRKCNH2CCKAR
SCHEMBL16498272 0.77 KCNH2 (0.43) OXTRCCKBRKCNH2CCKAR
SCHEMBL12781055 0.75 CCKBR (0.43) OXTRCCKBRKCNH2CCKAR
SCHEMBL16498120 0.74 CCKBR (0.42) CCKBRKCNH2CCKAR
SCHEMBL6517614 0.72 TSHR (0.48) KDM4ETSHR
SCHEMBL8610939 0.72 SENP1 (0.70) CCKBR
SCHEMBL4697879 0.70 KCNH2 (0.62) OXTRCCKBRKCNH2CCKAR

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 OXTR 489/4885CCKBR 180/4885KCNH2 160/4885

“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.