SCHEMBL7010793

SCHEMBL7010793

C1=NCCCN1Cc1cccnn1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
GRIN2B Q13224 5/20 0.32
GRIN1 Q05586 4/20 0.32
BRD4 O60885 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
ADORA2B P29275 1/20 0.30

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
SCHEMBL31679362 0.72 CXCR4 (0.44) CYP1A2
SCHEMBL17288868 0.72 CXCR4 (0.44) CYP1A2
SCHEMBL7006302 0.72 CHRNB2 (0.57)
SCHEMBL24984263 0.66 CXCR4 (0.54)
SCHEMBL7010738 0.65 GABRA1 (0.36)
Hydrochloric Acid SCHEMBL29232360 0.65 CXCR4 (0.53)
Hydrochloric Acid SCHEMBL30918505 0.65 CXCR4 (0.53)
Hydrochloric Acid SCHEMBL29232308 0.64 CXCR4 (0.62)
SCHEMBL25087416 0.64 HRH3 (0.41) CYP1A2BRD4CTDSP1
SCHEMBL18664073 0.64 ACHE (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US claimed
EP-1280793-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2003-02-05 EP claimed
WO-2001081334-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2001-11-01 WO claimed
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US disclosed
EP-1280793-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2003-02-05 EP disclosed
WO-2001081334-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2001-11-01 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-20030100769-A1 Cyclic amidine compounds CHRM1, CHRM5, CCKAR CYP1A2 2232/4885GRIN2B 314/4885GRIN1 147/4885

“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.