SCHEMBL7100026

SCHEMBL7100026

Clc1ccc(CC2=NCCCN2Cc2ccc(Cl)nc2)cn1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 3/20 0.57
CHRNA7 P36544 3/20 0.57
CHRNA3 P32297 2/20 0.57
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7006355 0.92 CHRNA7 (0.68) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4
SCHEMBL12986472 0.82 CHRNA1 (0.84) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4
SCHEMBL7007394 0.82 CHRNA1 (0.45) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4
SCHEMBL7008231 0.75 CHRNA1 (0.50) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4
SCHEMBL6330457 0.75 CHRNA7 (0.62) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4
SCHEMBL7956397 0.75 CHRNA7 (0.56) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4
SCHEMBL7961750 0.75 CHRNA7 (0.56) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4
SCHEMBL17479608 0.74 CHRNA7 (0.55) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4
SCHEMBL7956805 0.72 L3MBTL1 (0.60) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4
SCHEMBL7006779 0.72 CHRNA1 (0.69) CHRNA1CHRNA7CHRNA3CHRNB2CHRNA4

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-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US 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 CHRNA1 16/4885CHRNA7 4/4885CHRNA3 13/4885

“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.