SCHEMBL2016171

SCHEMBL2016171

CN1CCN(c2cc(N3CCN(C)CC3)cc([N+](=O)[O-])c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 6/20 0.69
LMNA P02545 1/20 0.61
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.50
BCL2A1 Q16548 1/20 0.49
MAPK1 P28482 1/20 0.48
HTR2C P28335 1/20 0.46
POLB P06746 1/20 0.46
HTR6 P50406 2/20 0.46

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
SCHEMBL21275246 0.96 SIRT6 (0.69) SIRT6LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL5132635 0.91 SIRT6 (0.62) SIRT6LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL5005578 0.90 SIRT6 (0.61) SIRT6LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL18277850 0.90 SIRT6 (0.61) SIRT6LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL30935303 0.89 SIRT6 (0.59) SIRT6LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL15961228 0.89 SIRT6 (0.59) SIRT6LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL20568737 0.89 SIRT6 (0.59) SIRT6LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL4717711 0.89 SIRT6 (0.59) SIRT6LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL282130 0.86 SIRT6 (0.60) SIRT6LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL2972930 0.85 SIRT6 (0.55) SIRT6LMNAMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680095-B2 Heterocycle compounds and uses thereof for the prevention or treatment of diseases involving formation of amyloid plaques and/or where a dysfunction of the APP metabolism occurs INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-03-25 US disclosed
US-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS UNIVERSITE LILLE 1 - SCIENCES ET TECHNOLOGIES (FR) 2012-11-08 US disclosed
EP-2513062-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS Institut National de la Santé et de la Recherche Médicale (FR) 2012-10-24 EP disclosed
WO-2011073322-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-23 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-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS APP, BACE1, PSEN1 SIRT6 640/4885LMNA 694/4885MAPT 20/4885

“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.