SCHEMBL3228734

SCHEMBL3228734

Cc1c[nH]c(=O)c2ccc(OC3CCN(C[C@H](C)N)CC3)c(F)c12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.45
CCR3 P51677 19/20 0.45
KCNH2 Q12809 9/20 0.40
CCR1 P32246 1/20 0.33
ROCK1 Q13464 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
SCHEMBL3228745 1.00 HRH1 (0.45) HRH1CCR3KCNH2CCR1ROCK1
SCHEMBL8936533 0.92 HRH1 (0.46) HRH1CCR3KCNH2CCR1ROCK1
SCHEMBL3229500 0.90 HRH1 (0.45) HRH1CCR3KCNH2CCR1
SCHEMBL3229509 0.90 HRH1 (0.45) HRH1CCR3KCNH2CCR1
SCHEMBL8936493 0.87 HRH1 (0.42) HRH1CCR3KCNH2ROCK1
SCHEMBL8936546 0.86 HRH1 (0.42) HRH1CCR3KCNH2
SCHEMBL8934493 0.83 MAOA (0.39) HRH1CCR3KCNH2ROCK1
SCHEMBL8936483 0.83 MAOA (0.46) HRH1CCR3KCNH2
SCHEMBL8936664 0.82 SMN1; SMN2 (0.48) HRH1CCR3
SCHEMBL8936719 0.82 HRH1 (0.42) HRH1CCR3KCNH2

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 14 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
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-8461144-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2013-06-11 US 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-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES SANOFI (FR) 2012-12-13 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-8278294-B2 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of Rho-kinase SANOFI (FR) 2012-10-02 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
US-20100063025-A1 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase SANOFI-AVENTIS (FR) 2010-03-11 US disclosed
US-20100063025-A1 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase SANOFI-AVENTIS (FR) 2010-03-11 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 (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 HRH1 975/4885CCR3 4267/4885KCNH2 2214/4885
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES MYLK2, RHOT2, MYLK HRH1 2358/4885CCR3 4713/4885KCNH2 3927/4885

“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.