SCHEMBL2017188

SCHEMBL2017188

CN1CCN(Cc2cc(N)ccc2N2CCN(C)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
KDM4E B2RXH2 4/20 0.58
RAD52 P43351 2/20 0.58
NR1H2 P55055 1/20 0.57
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.54
GAA P10253 4/20 0.50
GFER P55789 2/20 0.50
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HRH2 P25021 1/20 0.47
DRD3 P35462 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ACHE P22303 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADRA2C P18825 3/20 0.46
PTK2B Q14289 3/20 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
SCHEMBL30879098 0.84 MAPT (0.61) MAPTKDM4ERAD52NR1H2ALDH1A1
SCHEMBL12006141 0.84 MAPT (0.61) MAPTKDM4ERAD52NR1H2ALDH1A1
SCHEMBL15506693 0.83 MAPT (0.59) MAPTKDM4ERAD52NR1H2ALDH1A1
SCHEMBL189132 0.83 MAPT (0.59) MAPTKDM4ERAD52NR1H2ALDH1A1
SCHEMBL29507839 0.83 MAPT (0.59) MAPTKDM4ERAD52NR1H2ALDH1A1
SCHEMBL6273608 0.82 NR1H2 (0.61) MAPTKDM4ERAD52NR1H2ALDH1A1
Hydrochloric Acid SCHEMBL6268461 0.81 NR1H2 (0.60) MAPTKDM4ERAD52NR1H2ALDH1A1
SCHEMBL3396724 0.81 NR1H2 (0.60) MAPTKDM4ERAD52NR1H2ALDH1A1
SCHEMBL25329440 0.80 MAPT (0.56) MAPTKDM4ERAD52NR1H2ALDH1A1
SCHEMBL22450644 0.80 MAPT (0.56) MAPTKDM4ERAD52NR1H2ALDH1A1

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 MAPT 20/4885KDM4E 4794/4885RAD52 4035/4885

“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.