SCHEMBL18792924

SCHEMBL18792924

CCC1CCC(n2c(=O)[nH]c3ncc(NC(C)=O)cc3c2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.37
▸ ERCC1 P07992 2/20 0.37
▸ FEN1 P39748 2/20 0.37
▸ ERCC4 Q92889 2/20 0.37
▸ DNASE1 P24855 1/20 0.37
▸ PIK3CA P42336 2/20 0.36
▸ PRKDC P78527 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ EEF2K O00418 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RGS12 O14924 1/20 0.34

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
SCHEMBL18763312 1.00 OPRM1 (0.37) OPRM1ERCC1FEN1ERCC4DNASE1
SCHEMBL18763311 1.00 OPRM1 (0.37) OPRM1ERCC1FEN1ERCC4DNASE1
SCHEMBL18792947 1.00 OPRM1 (0.37) OPRM1ERCC1FEN1ERCC4DNASE1
SCHEMBL17347877 0.86 ERCC1 (0.36) OPRM1ERCC1FEN1ERCC4DNASE1
SCHEMBL18763278 0.86 CALCRL (0.36) OPRM1ERCC1FEN1ERCC4DNASE1
SCHEMBL18763293 0.86 ERCC1 (0.36) OPRM1ERCC1FEN1ERCC4DNASE1
SCHEMBL17347952 0.86 ERCC1 (0.36) OPRM1ERCC1FEN1ERCC4DNASE1
SCHEMBL17347876 0.86 CALCRL (0.36) OPRM1ERCC1FEN1ERCC4DNASE1
SCHEMBL18792950 0.86 CALCRL (0.36) OPRM1ERCC1FEN1ERCC4DNASE1
SCHEMBL18792951 0.86 CALCRL (0.36) OPRM1ERCC1FEN1ERCC4DNASE1

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-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 — — 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-20170114029-A1 TREATMENT OF CHAGAS DISEASE CXCR4, CBR1, CHRM1 OPRM1 1082/4885ERCC1 2255/4885FEN1 4772/4885

“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.

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