SCHEMBL1553593

SCHEMBL1553593

Cc1ccc2c(Br)n[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.46
ADORA2A P29274 6/20 0.46
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL7926347 0.79 ADORA1 (0.48) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL29727928 0.78 KMT2A (0.53) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL2160239 0.78 KMT2A (0.53) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL30445560 0.76 ADORA1 (0.46) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL12525866 0.76 ADORA1 (0.46) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL11963235 0.76 KDM4E (0.38) ADORA1ADORA2AKMT2AKDM4E
SCHEMBL10884409 0.76 KMT2A (0.46) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL22239632 0.74 ADORA1 (0.44) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL13119660 0.73 ADORA1 (0.43) ADORA1ADORA2AKMT2AGAAKDM4E
SCHEMBL18864005 0.72 ADORA1 (0.46) ADORA1ADORA2AKMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524706-B2 1,4-diazabicyclo[3.2.2]nonanecarboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-09-03 US disclosed
EP-1709052-B1 DERIVATIVES OF 1,4-DIAZABICYCLO 3.2.1OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2011-04-27 EP disclosed
US-7589201-B2 Derivatives of 1,4-diazabicyclo[3.2.1]octanecarboxamide, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-15 US disclosed
EP-1575960-B1 1,4-DIAZABICYCLO 3.2.2 NONANECARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2009-03-18 EP disclosed
US-20090054416-A1 1,4-Diazabicyclo[3.2.2]nonanecarboxamide Derivatives, Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2009-02-26 US disclosed
US-7456171-B2 1,4-Diazabicyclo[3.2.2]nonanecarboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-11-25 US disclosed
US-20070155749-A1 DERIVATIVES OF 1,4-DIAZABICYCLO[3.2.1]OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-07-05 US disclosed
US-20050182062-A1 1,4-Diazabicyclo[3.2.2]nonanecarboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-18 US 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 (3 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-20090054416-A1 1,4-Diazabicyclo[3.2.2]nonanecarboxamide Derivatives, Preparation and Therapeutic Use Thereof CNR1, CNR2, CACNA1A ADORA1 35/4885ADORA2A 45/4885KMT2A 2216/4885
US-20050182062-A1 1,4-Diazabicyclo[3.2.2]nonanecarboxamide derivatives, preparation and therapeutic use thereof CNR1, CNR2, CBR3 ADORA1 121/4885ADORA2A 246/4885KMT2A 1887/4885
US-20070155749-A1 DERIVATIVES OF 1,4-DIAZABICYCLO[3.2.1]OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CNR1, CNR2, NPY1R ADORA1 67/4885ADORA2A 204/4885KMT2A 1539/4885

“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.