SCHEMBL12193240

SCHEMBL12193240

Clc1cc(OC2CCN(C3CCCCC3)CC2)cc2ccncc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 14/20 0.48
▸ KCNH2 Q12809 6/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ SCN8A Q9UQD0 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ BTK Q06187 1/20 0.39

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
SCHEMBL12193238 0.84 NAMPT (0.47) HRH3KCNH2ROCK1ROCK2SCN8A
SCHEMBL12193215 0.81 HRH3 (0.44) HRH3KCNH2MEN1KMT2AROCK1
SCHEMBL12193220 0.81 HRH3 (0.46) HRH3
SCHEMBL12193229 0.81 HRH1 (0.44) HRH3KCNH2ROCK1ROCK2
SCHEMBL12193218 0.79 HRH3 (0.46) HRH3ROCK1ROCK2IKBKB
SCHEMBL12193213 0.78 IKBKB (0.64) ROCK1ROCK2IKBKB
SCHEMBL12193253 0.78 ROCK1 (0.61) HRH3KCNH2ROCK1ROCK2
SCHEMBL12193242 0.78 ROCK1 (0.51) KCNH2MEN1KMT2AROCK1ROCK2
SCHEMBL12193225 0.78 NAMPT (0.47) HRH3KCNH2MEN1KMT2AROCK1
Hydrochloric Acid SCHEMBL2497446 0.77 IKBKB (0.62) ROCK1ROCK2IKBKB

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 HRH3 3122/4885KCNH2 2710/4885MEN1 4163/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 HRH3 3122/4885KCNH2 2710/4885MEN1 4163/4885

“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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