SCHEMBL7124063

SCHEMBL7124063

N=C1SCCN1CC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.68
▸ RAB9A P51151 6/20 0.68
▸ MAPT P10636 5/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ NPC1 O15118 3/20 0.68
▸ LMNA P02545 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ NFKB1 P19838 2/20 0.68
▸ NFKB2 Q00653 2/20 0.68
▸ RELA Q04206 2/20 0.68
▸ ALDH1A1 P00352 4/20 0.59
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ INMT O95050 1/20 0.48
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ GAA P10253 1/20 0.44

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
Bromide SCHEMBL11731030 0.77 MAPT (0.56) SMN1; SMN2RAB9AMAPTKDM4ENPC1
SCHEMBL4337912 0.73 RAB9A (0.71) SMN1; SMN2RAB9AMAPTKDM4ENPC1
SCHEMBL7852222 0.72 MAPT (0.50) SMN1; SMN2RAB9AMAPTKDM4ENPC1
SCHEMBL25002012 0.71 CHRNA1 (0.60) SMN1; SMN2RAB9AMAPTKDM4ENPC1
SCHEMBL9413138 0.71 MAPT (0.56) SMN1; SMN2RAB9AMAPTKDM4ENPC1
SCHEMBL4875267 0.70 ALDH1A1 (0.79) SMN1; SMN2MAPTKDM4ETDP1ALDH1A1
SCHEMBL25003076 0.69 INMT (0.51) SMN1; SMN2RAB9AMAPTKDM4ENPC1
SCHEMBL6939772 0.69 ALDH1A1 (0.46) SMN1; SMN2RAB9AMAPTKDM4ELMNA
SCHEMBL10722832 0.69 GAA (0.46) SMN1; SMN2KDM4ELMNAALDH1A1KMT2A
SCHEMBL1820216 0.69 ALDH1A1 (0.46) SMN1; SMN2RAB9AMAPTKDM4ENPC1

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 7 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
CN-1366521-A Substituted 1-aza-2-imino heterocycles and their use as nicotinic acetylcholine receptors activators SUNTORY LTD (JP) 2002-08-28 — — CN 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 SMN1; SMN2 2165/4885RAB9A 3993/4885MAPT 3691/4885

“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.

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