SCHEMBL16508316

SCHEMBL16508316

NC(=O)[C@H](CS)NC(=O)CCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCC(=O)N[C@]12CNCCNC[C@](NC(=O)CCCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCCCCCC(=O)N[C@@H](CS)C(N)=O)(CNCCNC1)NCCNC2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 7/20 0.47
CHRND Q07001 5/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
PTPN1 P18031 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
SCHEMBL19102248 1.00 GRIA1 (0.47) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL19372615 0.97 PTPN1 (0.49) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL21908048 0.97 PTPN1 (0.49) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL24049337 0.97 PTPN1 (0.49) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL19372396 0.97 PTPN1 (0.49) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL24049222 0.97 PTPN1 (0.49) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL21907002 0.97 GRIA1 (0.50) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL19365169 0.97 GRIA1 (0.50) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL21186271 0.95 GRIA1 (0.51) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL19365106 0.94 PTPN1 (0.52) GRIA1CHRNDCHRNA1CHRNGCHRNB1

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-9701694-B2 Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2017-07-11 US disclosed
US-20110293517-A1 Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2011-12-01 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-20110293517-A1 Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals NCL, NUDC, C3AR1 GRIA1 1840/4885CHRND 3598/4885CHRNA1 4041/4885

“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.