SCHEMBL6888098

SCHEMBL6888098

CCCNC(=O)c1cc(N2CCN3CCC2CC3)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 4/20 0.48
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6887913 0.92 SIRT6 (0.49) SIRT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL1668897 0.90 SIRT6 (0.46) SIRT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL6886509 0.89 SIRT6 (0.45) SIRT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL6887700 0.88 SIRT6 (0.45) SIRT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL6889229 0.87 POLB (0.47) SIRT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL6888763 0.87 SIRT6 (0.46) SIRT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL11905441 0.87 SIRT6 (0.48) SIRT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL6889029 0.86 SIRT6 (0.47) SIRT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL6888181 0.85 SIRT6 (0.46) SIRT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL6887709 0.85 ALDH1A1 (0.57) SIRT6ALDH1A1MAPTMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO 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-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 SIRT6 377/4885ALDH1A1 732/4885MAPT 157/4885

“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.