SCHEMBL12193244

SCHEMBL12193244

Clc1cccc(CN2CCC(Oc3cc(Cl)c4cnccc4c3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 10/20 0.52
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ ROCK2 O75116 9/20 0.52
▸ CCR2 P41597 2/20 0.52
▸ KCNH2 Q12809 2/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ CCR3 P51677 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SCN1A P35498 1/20 0.44
▸ SCN8A Q9UQD0 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL12193253 0.92 ROCK1 (0.61) ROCK1MAOAMAOBROCK2CCR2
SCHEMBL12193267 0.91 ROCK1 (0.50) ROCK1MAOAMAOBROCK2CCR2
SCHEMBL12193268 0.90 ROCK1 (0.54) ROCK1ROCK2CCR2KCNH2HRH1
SCHEMBL12193242 0.90 ROCK1 (0.51) ROCK1MAOAMAOBROCK2CCR2
SCHEMBL12192856 0.87 ROCK1 (0.63) ROCK1MAOAMAOBROCK2CCR2
SCHEMBL12193264 0.86 ROCK1 (0.49) ROCK1MAOAMAOBROCK2CCR2
SCHEMBL12193254 0.85 EPHX2 (0.49) ROCK1ROCK2CCR2SIGMAR1
SCHEMBL12193245 0.84 ROCK1 (0.49) ROCK1ROCK2CCR2KCNH2HRH1
SCHEMBL12193265 0.83 ADRB2 (0.48) ROCK1ROCK2CCR2KCNH2HRH1
SCHEMBL12193269 0.82 ROCK1 (0.50) ROCK1ROCK2CCR2KCNH2ALDH1A1

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 9 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
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 ROCK1 7/4885MAOA 2491/4885MAOB 2446/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 ROCK1 7/4885MAOA 2491/4885MAOB 2446/4885

“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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