SCHEMBL3598906

SCHEMBL3598906

CN1CCN(C2C[CH]CCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL3593309 0.90 L3MBTL3 (0.33) L3MBTL3L3MBTL1ALDH1A1KDM4ETDP1
SCHEMBL737435 0.83 L3MBTL3 (0.39) L3MBTL3L3MBTL1
SCHEMBL735624 0.81 L3MBTL3 (0.38) L3MBTL3L3MBTL1
SCHEMBL736517 0.81 L3MBTL3 (0.38) L3MBTL3L3MBTL1
SCHEMBL736038 0.81 L3MBTL3 (0.38) L3MBTL3L3MBTL1
SCHEMBL302125 0.79 L3MBTL1 (0.38) L3MBTL3L3MBTL1ALDH1A1KDM4ETDP1
SCHEMBL3585321 0.78 KDM4E (0.33) L3MBTL3L3MBTL1ALDH1A1LMNATP53
SCHEMBL21724211 0.77 L3MBTL3 (0.39) L3MBTL3L3MBTL1ALDH1A1KDM4ETDP1
SCHEMBL737575 0.76 SMN1; SMN2 (0.43) L3MBTL3L3MBTL1ALDH1A1KDM4EHRH3
SCHEMBL81246 0.75 L3MBTL3 (0.41) L3MBTL3L3MBTL1ALDH1A1LMNATP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103003253-A Acid addition salts of the 2-[2-[[(4-methoxy-2,6-dimethylphenyl) sulfonyl]-(methyl)amino]ethoxy]-n-methyl-n-[3- (4-methylpiperazin-1-yl)cyclohexyl] acetamide and the use thereof as bradykinin b1 receptor antagonists BOEHRINGER INGELHEIM INT 2013-03-27 CN claimed
CN-103003253-A Acid addition salts of the 2-[2-[[(4-methoxy-2,6-dimethylphenyl) sulfonyl]-(methyl)amino]ethoxy]-n-methyl-n-[3- (4-methylpiperazin-1-yl)cyclohexyl] acetamide and the use thereof as bradykinin b1 receptor antagonists BOEHRINGER INGELHEIM INT 2013-03-27 CN disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN L3MBTL3 2360/4885L3MBTL1 1749/4885ALDH1A1 4236/4885

“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.