SCHEMBL8938949

SCHEMBL8938949

COc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc(C)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
BCHE P06276 1/20 0.48
NTSR1 P30989 1/20 0.45
ROCK1 Q13464 1/20 0.45
MAP2K1 Q02750 1/20 0.44
EHMT2 Q96KQ7 2/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL8936425 0.92 ACHE (0.48) ACHEBCHEROCK1MAP2K1POLB
SCHEMBL8937943 0.90 ROCK1 (0.56) ACHEBCHEROCK1MAP2K1
SCHEMBL8935003 0.89 MAP2K1 (0.57) ACHEBCHEROCK1MAP2K1
SCHEMBL8936448 0.87 ACHE (0.51) ACHEBCHEMAP2K1POLB
SCHEMBL13890346 0.85 ROCK1 (0.53) ACHEROCK1MAP2K1POLB
SCHEMBL8938176 0.83 MAP2K1 (0.55) ACHEROCK1MAP2K1POLBMEN1
SCHEMBL8937994 0.83 ROCK1 (0.55) ACHEBCHEROCK1MAP2K1
SCHEMBL4013793 0.83 ROCK1 (0.58) ROCK1MEN1KMT2A
SCHEMBL8934478 0.82 ROCK1 (0.49) ROCK1MAP2K1EHMT2
SCHEMBL8937945 0.82 ROCK1 (0.56) ROCK1MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 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 ACHE 3559/4885BCHE 3883/4885NTSR1 4132/4885

“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.