SCHEMBL13089978

SCHEMBL13089978

CNCC(=O)N1CC(Oc2cc(-c3cccc(C#N)c3)cc3ccncc23)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DGAT2 Q96PD7 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
EGLN1 Q9GZT9 2/20 0.35
SCN9A Q15858 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
ROCK2 O75116 2/20 0.34
NAMPT P43490 2/20 0.34
PAX8 Q06710 1/20 0.34
USP30 Q70CQ3 1/20 0.34
NEK1 Q96PY6 1/20 0.34
ABL1 P00519 1/20 0.34
ITK Q08881 1/20 0.33
GSK3B P49841 1/20 0.33
GRM5 P41594 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
SCHEMBL13087387 0.90 TBK1 (0.39) DGAT2SLC22A12IKBKBCHUKROCK2
SCHEMBL13089990 0.88 DGAT2 (0.36) KDM1AMAOAMAOBDGAT2SLC22A12
SCHEMBL13087812 0.86 DGAT2 (0.42) KDM1AMAOAMAOBDGAT2SLC22A12
SCHEMBL13087396 0.85 SCN9A (0.35) KDM1AMAOAMAOBDGAT2SLC22A12
SCHEMBL13087208 0.85 SLC22A12 (0.39) DGAT2SLC22A12EGLN1SCN9AIKBKB
SCHEMBL13441035 0.84 DGAT2 (0.34) KDM1AMAOAMAOBDGAT2SLC22A12
SCHEMBL13087407 0.83 HRH3 (0.39) SCN9AROCK2USP30NEK1
SCHEMBL2428445 0.83 CYP11B2 (0.35) DGAT2SCN9AIKBKBCHUKROCK2
SCHEMBL13087281 0.82 SLC6A7 (0.39) DGAT2SLC22A12IKBKBCHUKROCK2
SCHEMBL13087394 0.82 KCNK3 (0.41) DGAT2SLC22A12SCN9AIKBKBCHUK

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-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 KDM1A 1279/4885MAOA 4090/4885MAOB 4096/4885

“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.