SCHEMBL4239387

SCHEMBL4239387

O=C(c1c[nH]c2nc(Cl)ccc12)C(Cl)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.48
ADORA1 P30542 6/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAP2K1 Q02750 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MAPK1 P28482 1/20 0.33
NR4A2 P43354 1/20 0.33
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3554174 0.83 ADORA2A (0.56) ADORA2AADORA1MEN1KMT2AMAP2K1
SCHEMBL7024233 0.81 ADORA2A (0.50) ADORA2AADORA1MEN1KMT2AMAP2K1
SCHEMBL7025897 0.79 ADORA2A (0.52) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL26979129 0.78 MAP2K1 (0.57) ADORA2AMEN1KMT2AMAP2K1NR4A2
SCHEMBL29644283 0.78 MAP2K1 (0.57) ADORA2AMEN1KMT2AMAP2K1NR4A2
SCHEMBL20769722 0.76 ADORA2A (0.46) ADORA2AADORA1MEN1KMT2AMAP2K1
SCHEMBL5122900 0.75 MAP2K1 (0.61) ADORA2AKMT2AMAP2K1
SCHEMBL28089657 0.75 ADORA2A (0.48) ADORA2AADORA1MEN1KMT2A
SCHEMBL7099389 0.74 ADORA2A (0.47) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL31368049 0.71 JAK2 (0.46) MAP2K1NR4A2PKMCYP2C19

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 5 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-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-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 (2 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 ADORA2A 45/4885ADORA1 35/4885MEN1 2436/4885
US-20050182062-A1 1,4-Diazabicyclo[3.2.2]nonanecarboxamide derivatives, preparation and therapeutic use thereof CNR1, CNR2, CBR3 ADORA2A 246/4885ADORA1 121/4885MEN1 3032/4885

“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.