SCHEMBL8935778

SCHEMBL8935778

O=c1[nH]ccc2cc(OCC3CCN(Cc4ccccc4Cl)CC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.53
MAOB P27338 3/20 0.46
ACHE P22303 2/20 0.46
MAOA P21397 2/20 0.46
CXCR4 P61073 2/20 0.46
DCPS Q96C86 1/20 0.45
ROCK1 Q13464 2/20 0.45
ALDH1A1 P00352 1/20 0.44
ATM Q13315 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
SCHEMBL8935814 0.88 MAOA (0.59) MAP2K1MAOBACHEMAOA
SCHEMBL8934780 0.86 ROCK1 (0.56) MAOBMAOAROCK1
SCHEMBL8935808 0.85 MAOB (0.59) MAP2K1MAOBACHEMAOA
SCHEMBL8935887 0.84 MAP2K1 (0.55) MAP2K1MAOBACHEMAOAROCK1
SCHEMBL8935934 0.83 MAP2K1 (0.53) MAP2K1MAOBACHEMAOAROCK1
SCHEMBL8935917 0.82 MAP2K1 (0.55) MAP2K1MAOBACHEMAOA
SCHEMBL8938922 0.82 MAP2K1 (0.55) MAP2K1MAOBACHEMAOA
SCHEMBL8935619 0.81 MAP2K1 (0.61) MAP2K1ROCK1
SCHEMBL8935674 0.81 MAP2K1 (0.61) MAP2K1ROCK1
SCHEMBL8938927 0.81 MAOB (0.52) MAP2K1MAOBACHEMAOA

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
EP-2385047-B1 Piperidinyl-substituted isoquinolone derivatives SANOFI SA (FR) 2013-05-29 EP disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2385047-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI (FR) 2011-11-09 EP disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 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-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 MAP2K1 1916/4885MAOB 2595/4885ACHE 3559/4885

“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.