SCHEMBL7010738

SCHEMBL7010738

Cc1ccc(CN2C=NCCC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
CHRM1 P11229 2/20 0.35
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
HRH1 P35367 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL7012343 0.82 CHRNA1 (0.50) ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL7006302 0.77 CHRNB2 (0.57) ALDH1A1CHRNB2CHRNA4KDM4E
SCHEMBL4554100 0.74 CHRNB2 (0.56) ALDH1A1CHRNB2CHRNA4KDM4E
SCHEMBL12049097 0.74 CHRNB2 (0.51) ALDH1A1CHRNB2CHRNA4HRH1KDM4E
SCHEMBL12334539 0.72 HRH3 (0.59) ALDH1A1CHRNB2CHRNA4KDM4E
SCHEMBL7011440 0.72 CHRNB2 (0.33) ALDH1A1CHRNB2CHRNA4
SCHEMBL789428 0.70 GABRA1 (0.42) GABRA1GABRA5CHRM1PRMT5WDR77
Water SCHEMBL28218487 0.69 LMNA (0.44) ALDH1A1LMNA
SCHEMBL14308131 0.68 LMNA (0.54) ALDH1A1KDM4ELMNA
SCHEMBL1666554 0.68 ALDH1A1 (0.61) ALDH1A1HRH1KDM4ELMNA

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 GABRA1 409/4885GABRA5 411/4885CHRM1 1/4885

“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.