SCHEMBL7116152

SCHEMBL7116152

N=c1ncccn1CCc1ccc(Cl)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
CHRNA1 P02708 2/20 0.45
CHRNA7 P36544 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7503011 0.85 GAA (0.57) GAAMAPTCHRNA1CHRNA7CHRNB2
Hydrochloric Acid SCHEMBL15224351 0.84 GAA (0.56) GAAMAPTCHRNA1CHRNA7CHRNB2
Hydrochloric Acid SCHEMBL29595467 0.84 GAA (0.56) GAAMAPTCHRNA1CHRNA7CHRNB2
SCHEMBL7119933 0.81 CHRNA1 (0.46) GAAMAPTCHRNA1CHRNA7CHRNB2
SCHEMBL7123376 0.74 CHRNB2 (0.74) CHRNA1CHRNA7CHRNB2CHRNA4L3MBTL1
SCHEMBL6639142 0.74 LMNA (0.52) GAAMAPTCHRNA1CHRNA7CHRNB2
SCHEMBL6639004 0.69 CHRNA1 (0.46) CHRNA1CHRNA7CHRNB2CHRNA4L3MBTL1
SCHEMBL7502275 0.69 L3MBTL1 (0.60) GAAMAPTCHRNA1CHRNA7CHRNB2
SCHEMBL7115910 0.69 LMNA (0.42) GAAMAPTCHRNA1CHRNA7CHRNB2
SCHEMBL11730407 0.68 TAAR1 (0.40)

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-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-07-17 US claimed
EP-1185521-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS SUNTORY LIMITED (JP) 2002-03-13 EP claimed
WO-2001081326-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTORS ACTIVATORS SUNTORY LIMITED (JP) 2001-11-01 WO claimed
US-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-07-17 US disclosed
EP-1185521-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS SUNTORY LIMITED (JP) 2002-03-13 EP disclosed
WO-2001081326-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTORS ACTIVATORS 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-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators CHRNA7, CHRNA2, CHRNA1 GAA 3726/4885MAPT 3691/4885CHRNA1 3/4885

“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.