SCHEMBL7006302

SCHEMBL7006302

C1=NCCCN1Cc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
CYP11B1 P15538 1/20 0.44
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL7010738 0.77 GABRA1 (0.36) CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL28407943 0.75 HRH3 (0.49) CHRNB2CHRNA4TDP1
SCHEMBL7012343 0.74 CHRNA1 (0.50) CHRNB2CHRNA4ALDH1A1
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL1538320 0.73 CHRNB2 (1.00) CHRNB2CHRNA4CASP1CASP4CASP5
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL30341021 0.73 CHRNB2 (1.00) CHRNB2CHRNA4CASP1CASP4CASP5
SCHEMBL30711590 0.73 CHRNB2 (0.93) CHRNB2CHRNA4CASP1CASP4CASP5
SCHEMBL16026435 0.72 CHRNB2 (0.85) CHRNB2CHRNA4CASP1CASP4CASP5
SCHEMBL3551718 0.72 CHRNB2 (0.76) CHRNB2CHRNA4CASP1CASP4CASP5
SCHEMBL7010793 0.72 CYP1A2 (0.33)
SCHEMBL5166215 0.71 CHRNB2 (0.96) CHRNB2CHRNA4CASP1CASP4CASP5

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 CHRNB2 28/4885CHRNA4 17/4885CYP11B1 919/4885

“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.