SCHEMBL6889229

SCHEMBL6889229

CC(C)CNC(=O)c1cc(N2CCN3CCC2CC3)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SIRT6 Q8N6T7 4/20 0.47
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 4/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 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 0.89 SIRT6 (0.49) SIRT6ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL6888098 0.87 SIRT6 (0.48) POLBSIRT6ALDH1A1SMN1; SMN2MAPT
SCHEMBL6886491 0.87 FAAH (0.48) SIRT6ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL1668733 0.87 SIRT6 (0.44) SIRT6ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL6888763 0.86 SIRT6 (0.46) POLBSIRT6ALDH1A1MAPTMEN1
SCHEMBL11905441 0.86 SIRT6 (0.48) SIRT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL6886624 0.85 MAPT (0.39) SMN1; SMN2MAPTHTTMEN1KMT2A
SCHEMBL6889029 0.85 SIRT6 (0.47) SIRT6ALDH1A1MAPTMEN1KMT2A
SCHEMBL1668897 0.85 SIRT6 (0.46) POLBSIRT6ALDH1A1SMN1; SMN2MAPT
SCHEMBL6888181 0.84 SIRT6 (0.46) SIRT6ALDH1A1SMN1; SMN2MAPTCYP1A2

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 POLB 4229/4885SIRT6 377/4885ALDH1A1 732/4885

“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.