SCHEMBL6717375

SCHEMBL6717375

CC(C)(C)OC(=O)N[C@H]1C[C@H](CC(=O)O)CC[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.42
PNP P00491 2/20 0.42
ADCY5 O95622 1/20 0.39
HINT1 P49773 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL6717369 1.00 HPRT1 (0.42) HPRT1PNPADCY5HINT1ADORA3
SCHEMBL6710531 0.84 ADCY5 (0.38) ADCY5
SCHEMBL6710540 0.84 ADCY5 (0.43) ADCY5ADORA3
SCHEMBL6711464 0.83 ADCY5 (0.60) ADCY5
SCHEMBL6711467 0.83 ADCY5 (0.60) ADCY5
SCHEMBL6710536 0.83 PNP (0.31) PNP
SCHEMBL4850989 0.81 PNP (0.49) HPRT1PNPADCY5ADORA3
SCHEMBL6717390 0.78 HPRT1 (0.34) HPRT1
SCHEMBL6711555 0.77 KMT2A (0.35)
SCHEMBL6711549 0.77 KMT2A (0.35)

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
US-20040249152-A1 Method for the production of cna NANOGEN RECOGNOMICS GMBH (DE) 2004-12-09 US claimed
US-20040249152-A1 Method for the production of cna NANOGEN RECOGNOMICS GMBH (DE) 2004-12-09 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-20040249152-A1 Method for the production of cna RNGTT, COASY, CNOT7 HPRT1 2683/4885PNP 378/4885ADCY5 1851/4885

“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.