SCHEMBL7012293

SCHEMBL7012293

Clc1ncc(C2=NCCCN2)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 6/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
TOP2A P11388 4/20 0.41
TOP2B Q02880 4/20 0.41
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
F10 P00742 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 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
SCHEMBL7016403 0.90 NISCH (0.46) NISCHTOP2ATOP2BLMNARECQL
SCHEMBL7006044 0.71 HTR1D (0.41) GAATSHRLMNA
SCHEMBL28428254 0.69 NISCH (0.60) NISCHGAATSHRTOP2ATOP2B
SCHEMBL7127567 0.67 NISCH (0.56) NISCHGAATSHRTOP2ATOP2B
SCHEMBL13327264 0.64 NISCH (0.81) NISCHGAATSHRTOP2ATOP2B
SCHEMBL10854552 0.64 NISCH (0.57) NISCHTOP2ATOP2BLMNARECQL
SCHEMBL3058419 0.63 NISCH (0.56) NISCHGAATSHRTOP2ATOP2B
SCHEMBL12073506 0.61 NISCH (0.81) NISCHGAATSHRTOP2ATOP2B
SCHEMBL12556606 0.60
SCHEMBL7009272 0.60 TAAR1 (0.49) NISCHTSHRLMNA

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 NISCH 1691/4885GAA 4427/4885TSHR 31/4885

“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.