SCHEMBL7006779

SCHEMBL7006779

CC1=NCCN1Cc1ccc(Cl)nc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.69
CHRNA7 P36544 2/20 0.69
CHRNB2 P17787 1/20 0.69
CHRNA3 P32297 1/20 0.69
CHRNA4 P43681 1/20 0.69
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL7006000 0.85 CHRNA1 (0.55) CHRNA1CHRNA7CHRNB2CHRNA3CHRNA4
Desnitroimidacloprid SCHEMBL29823081 0.82 CHRNB2 (1.00) CHRNA1CHRNA7CHRNB2CHRNA3CHRNA4
SCHEMBL7006355 0.81 CHRNA7 (0.68) CHRNA1CHRNA7CHRNB2CHRNA3CHRNA4
SCHEMBL1974393 0.77 HTR1D (0.52) LMNAL3MBTL1
SCHEMBL9014553 0.75 CHRNA7 (0.60) CHRNA1CHRNA7CHRNB2CHRNA3CHRNA4
SCHEMBL20881161 0.75 CHRNA7 (0.60) CHRNA1CHRNA7CHRNB2CHRNA3CHRNA4
Imidacloprid SCHEMBL22279 0.74 CHRNA1 (0.59) CHRNA1CHRNA7CHRNB2CHRNA3CHRNA4
Imidacloprid SCHEMBL29373384 0.74 CHRNA1 (0.59) CHRNA1CHRNA7CHRNB2CHRNA3CHRNA4
Imidacloprid SCHEMBL15690487 0.74 CHRNA1 (0.59) CHRNA1CHRNA7CHRNB2CHRNA3CHRNA4
SCHEMBL13763701 0.74 CHRNB2 (0.53) CHRNB2CHRNA4ALDH1A1

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 7 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
EP-0268915-A2 Trifluoromethylcarbonyl derivatives BAYER AG (DE) 1988-06-01 EP 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 CHRNA1 16/4885CHRNA7 4/4885CHRNB2 28/4885

“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.