SCHEMBL13328983

SCHEMBL13328983

CC(C)(C)CCCNc1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ ABCC9 O60706 2/20 0.39
▸ KCNJ11 Q14654 2/20 0.39
▸ GAA P10253 3/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ CACNA1B Q00975 1/20 0.37
▸ CYP2A6 P11509 2/20 0.37
▸ ICMT O60725 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ SAE1 Q9UBE0 1/20 0.36
▸ UBA2 Q9UBT2 1/20 0.36

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
SCHEMBL5516545 0.83 ALDH1A1 (0.44) LOXL2GAAABCG2CYP2A6ALDH1A1
SCHEMBL5712390 0.81 PRSS1 (0.46) LOXL2GAAABCG2CYP2A6ALDH1A1
SCHEMBL5712397 0.81 PRSS1 (0.46) LOXL2GAAABCG2CYP2A6ALDH1A1
SCHEMBL6418566 0.81 PRSS1 (0.46) LOXL2GAAABCG2CYP2A6ALDH1A1
SCHEMBL8176730 0.80 ABCB1 (0.52) LOXL2GAAABCB1ABCG2CACNA1B
SCHEMBL11500089 0.79 MGLL (0.50) LOXL2GAAABCB1ABCG2CYP2A6
SCHEMBL14255799 0.78 LOXL2 (0.44) LOXL2ABCC9KCNJ11KIF11CYP2A6
SCHEMBL5335241 0.78 KCNH3 (0.41) GAAALDH1A1HTTSMN1; SMN2
SCHEMBL11250412 0.78 EGLN2 (0.41) KIF11ABCG2SLC22A12CA1CA2
SCHEMBL11289367 0.77 MGLL (0.52) LOXL2GAAABCB1ABCG2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160626-A1 Process For The Preparation Of 3,7-Dihydroxy-1,5-Diazacyclooctanes ASTRAZENECA AB (SE) 2010-06-24 — — 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-20100160626-A1 Process For The Preparation Of 3,7-Dihydroxy-1,5-Diazacyclooctanes CYP2D6, KCNH1, CYP2B6 LOXL2 2857/4885ABCC9 1241/4885KCNJ11 57/4885

“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.

Send feedback