SCHEMBL1668485

SCHEMBL1668485

CC(C)NC(=O)CNC(=O)c1cc(N2C[C@@H]3C[C@H]2CN3)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
SIRT6 Q8N6T7 2/20 0.42
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
USP25 Q9UHP3 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
KHK P50053 1/20 0.35
KDM1A O60341 1/20 0.35
SERPINE1 P05121 1/20 0.34

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
SCHEMBL11905601 0.87 USP25 (0.41) CHRNB2CHRNA4USP25KHKKDM1A
SCHEMBL17044017 0.87 USP25 (0.41) CHRNB2CHRNA4USP25KHKKDM1A
SCHEMBL16103935 0.85 SIRT6 (0.40) SIRT6ALDH1A1SMN1; SMN2FAAHMGLL
SCHEMBL17056469 0.85 SIRT6 (0.40) SIRT6ALDH1A1SMN1; SMN2FAAHMGLL
SCHEMBL1667815 0.84 SIRT6 (0.41) SIRT6ALDH1A1SMN1; SMN2FAAHMGLL
SCHEMBL1667814 0.84 SIRT6 (0.41) SIRT6ALDH1A1SMN1; SMN2FAAHMGLL
SCHEMBL6888299 0.83 CHRNB2 (0.51) CHRNB2CHRNA4SIRT6KHK
SCHEMBL6890803 0.82 SIRT6 (0.46) SIRT6ALDH1A1SMN1; SMN2FAAHMGLL
SCHEMBL1668733 0.79 SIRT6 (0.44) SIRT6ALDH1A1SMN1; SMN2FAAHMGLL
SCHEMBL6887892 0.79 MAPT (0.54) SIRT6ALDH1A1SMN1; SMN2FAAHMGLL

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 7 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
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
EP-2488520-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MSD Oss B.V. (NL) 2012-08-22 EP 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 CHRNB2 15/4885CHRNA4 10/4885SIRT6 377/4885

“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.