SCHEMBL3224155

SCHEMBL3224155

COc1ccc(Cn2ccc3cc(OC4CCCNCC4)c(C)cc3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.46
MAPT P10636 7/20 0.39
UTS2R Q9UKP6 1/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.38

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
Hydrochloric Acid SCHEMBL3221403 0.90 ROCK1 (0.46) ROCK1MAPTTP53LMNAPOLB
Hydrochloric Acid SCHEMBL3221416 0.90 ROCK1 (0.46) ROCK1MAPTTP53LMNAPOLB
SCHEMBL3219270 0.86 MAPT (0.39) MAPTTP53LMNAPOLB
SCHEMBL3219253 0.86 MAPT (0.39) MAPTTP53LMNAPOLB
SCHEMBL3219258 0.86 MAPT (0.39) MAPTTP53LMNAPOLB
SCHEMBL3222625 0.85 MAPT (0.42) MAPTTP53LMNAPOLB
SCHEMBL2335574 0.85 MAPT (0.42) MAPTTP53LMNAPOLB
SCHEMBL2335578 0.85 MAPT (0.42) MAPTTP53LMNAPOLB
SCHEMBL3217557 0.85 HRH3 (0.41) MAPTTP53LMNA
SCHEMBL13421660 0.79 MAPT (0.39) MAPTTP53LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102187-B1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI SA (FR) 2015-04-01 EP disclosed
US-8461144-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2013-06-11 US disclosed
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES SANOFI (FR) 2012-12-13 US disclosed
US-8278294-B2 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of Rho-kinase SANOFI (FR) 2012-10-02 US disclosed
US-20100063025-A1 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase SANOFI-AVENTIS (FR) 2010-03-11 US disclosed
EP-2102187-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE Sanofi-Aventis (FR) 2009-09-23 EP disclosed
WO-2008077550-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (FR) 2008-07-03 WO 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 (2 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-20100063025-A1 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase ROCK1, MYLK, ROCK2 ROCK1 1/4885MAPT 1140/4885UTS2R 4260/4885
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES MYLK2, RHOT2, MYLK ROCK1 11/4885MAPT 868/4885UTS2R 3748/4885

“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.