SCHEMBL14004700

SCHEMBL14004700

CNCCC[C@H](NC)C(=O)NCCN

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ KISS1R Q969F8 1/20 0.41
▸ DPP7 Q9UHL4 2/20 0.39
▸ RRM1 P23921 1/20 0.38
▸ CACNA1B Q00975 2/20 0.38
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ TLR2 O60603 2/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.33
▸ GRIA1 P42261 1/20 0.32
▸ PAOX Q6QHF9 1/20 0.32

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
SCHEMBL13997045 0.87 KISS1R (0.44) SIRT6SIRT1KISS1RDPP7RRM1
SCHEMBL13997595 0.86 SIRT6 (0.46) SIRT6SIRT1KISS1RDPP7RRM1
SCHEMBL14002740 0.86 KISS1R (0.43) SIRT6SIRT1KISS1RDPP7RRM1
SCHEMBL14002759 0.86 KISS1R (0.43) SIRT6SIRT1KISS1RDPP7RRM1
SCHEMBL14004705 0.85 SIRT6 (0.51) SIRT6SIRT1DPP7RRM1NMT2
SCHEMBL14004798 0.84 KISS1R (0.42) SIRT6SIRT1KISS1RDPP7CACNA1B
SCHEMBL23316432 0.84 SIRT6 (0.41) SIRT6SIRT1KISS1RDPP7RRM1
SCHEMBL16263587 0.84 SIRT6 (0.42) SIRT6SIRT1DPP7RRM1CACNA1B
SCHEMBL14004844 0.84 SIRT6 (0.39) SIRT6SIRT1KISS1RDPP7RRM1
SCHEMBL14004909 0.84 SIRT6 (0.42) SIRT6SIRT1KISS1RDPP7RRM1

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 SIRT6 126/4885SIRT1 276/4885KISS1R 1763/4885

“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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