SCHEMBL14004683

SCHEMBL14004683

CNCCCC[C@H](NC)C(=O)NC[C@H](CCCNC)NC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ CACNA1B Q00975 2/20 0.34
▸ CPB2 Q96IY4 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31

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
SCHEMBL14004776 0.97 SIRT6 (0.39) KISS1RSIRT6SIRT1CACNA1BCPB2
SCHEMBL14002547 0.97 KISS1R (0.41) KISS1RSIRT6SIRT1CACNA1B
SCHEMBL14004821 0.94 CACNA1B (0.39) KISS1RSIRT6SIRT1CACNA1B
SCHEMBL14004818 0.94 CACNA1B (0.39) KISS1RSIRT6SIRT1CACNA1B
SCHEMBL14004708 0.91 SIRT6 (0.43) KISS1RSIRT6SIRT1CPB2FOLH1
SCHEMBL14004784 0.91 CACNA1B (0.38) KISS1RSIRT6SIRT1CACNA1B
SCHEMBL14004819 0.90 CASP2 (0.33) KISS1RSIRT6SIRT1CACNA1BFOLH1
SCHEMBL14004788 0.90 KISS1R (0.33) KISS1RSIRT6SIRT1CACNA1B
SCHEMBL14004779 0.89 CACNA1B (0.37) KISS1RSIRT6SIRT1CACNA1B
SCHEMBL14004840 0.89 SIRT6 (0.38) KISS1RSIRT6SIRT1CACNA1BCPB2

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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 — — 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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 KISS1R 1763/4885SIRT6 126/4885SIRT1 276/4885

“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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