SCHEMBL2013498

SCHEMBL2013498

CN1CCN(c2cc(N)cc(N3CCN(C)CC3)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.68
MAPT P10636 4/20 0.63
KDM4E B2RXH2 3/20 0.63
GAA P10253 2/20 0.63
PTK2B Q14289 2/20 0.63
ALDH1A1 P00352 1/20 0.63
GFER P55789 1/20 0.63
KMT2A Q03164 1/20 0.63
ESR2 Q92731 1/20 0.63
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
HRH4 Q9H3N8 8/20 0.51
RAD52 P43351 1/20 0.47
HTR3A P46098 1/20 0.46
SIRT6 Q8N6T7 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL22712693 0.95 ADRA2C (0.68) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL4554802 0.89 KDM4E (0.56) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL18278152 0.88 ADRA2C (0.59) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL30935141 0.86 ADRA2C (0.58) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL5010073 0.86 ADRA2C (0.58) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL25722194 0.86 ADRA2C (0.58) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL4717525 0.86 ADRA2C (0.58) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL3311790 0.86 ADRA2C (0.53) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL10127523 0.83 ADRA2C (0.59) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL21574870 0.82 GAA (0.52) ADRA2CMAPTKDM4EGAAPTK2B

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 ADRA2C 1660/4885MAPT 20/4885KDM4E 4794/4885

“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.