SCHEMBL12193219

SCHEMBL12193219

CCCCN1CCC(Oc2cc(Cl)c3cnccc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.43
▸ ROCK1 Q13464 4/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ HRH1 P35367 5/20 0.40
▸ IKBKB O14920 3/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ HTR4 Q13639 1/20 0.38
▸ KCNH2 Q12809 3/20 0.37
▸ CHUK O15111 1/20 0.37

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
SCHEMBL12193218 0.94 HRH3 (0.46) MAOAMAOBHRH3ROCK1ROCK2
SCHEMBL12193215 0.89 HRH3 (0.44) HRH3ROCK1ROCK2IKBKBKCNH2
SCHEMBL12193230 0.86 NAMPT (0.49) ROCK1ROCK2HRH1IKBKBCCR3
SCHEMBL12193229 0.84 HRH1 (0.44) HRH3ROCK1ROCK2HRH1CCR3
SCHEMBL12193235 0.84 ROCK1 (0.40) ROCK1ROCK2HRH1IKBKBCCR3
SCHEMBL12193225 0.84 NAMPT (0.47) HRH3ROCK1ROCK2HRH1IKBKB
SCHEMBL12192818 0.83 MAOA (0.54) MAOAMAOBHRH3ROCK1ROCK2
SCHEMBL12193264 0.82 ROCK1 (0.49) MAOAMAOBHRH3ROCK1ROCK2
SCHEMBL12193238 0.82 NAMPT (0.47) HRH3ROCK1ROCK2HRH1CCR3
SCHEMBL12193253 0.82 ROCK1 (0.61) MAOAMAOBHRH3ROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 — — US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 — — US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 — — US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 — — US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 — — US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 — — US disclosed
EP-1899322-B1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI AVENTIS (FR) 2009-09-02 — — EP disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 — — US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 — — US disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 — — 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-20110245248-A1 ISOQUINOLINE DERIVATIVES MYLK2, MYLK, RHOT2 MAOA 2491/4885MAOB 2446/4885HRH3 3122/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 MAOA 2491/4885MAOB 2446/4885HRH3 3122/4885

“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.

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