SCHEMBL12193229

SCHEMBL12193229

Clc1cc(OC2CCN(CC3CC3)CC2)cc2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 13/20 0.44
▸ CCR3 P51677 13/20 0.44
▸ KCNH2 Q12809 11/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ ROCK1 Q13464 3/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ OPRK1 P41145 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
SCHEMBL12193238 0.94 NAMPT (0.47) HRH1CCR3KCNH2HRH3ROCK1
SCHEMBL12193215 0.88 HRH3 (0.44) KCNH2HRH3ROCK1ROCK2
SCHEMBL12193218 0.86 HRH3 (0.46) HRH3ROCK1ROCK2
SCHEMBL12193242 0.85 ROCK1 (0.51) HRH1CCR3KCNH2ROCK1ROCK2
SCHEMBL12193225 0.85 NAMPT (0.47) HRH1CCR3KCNH2HRH3ROCK1
SCHEMBL12193253 0.85 ROCK1 (0.61) HRH1CCR3KCNH2HRH3ROCK1
SCHEMBL12193267 0.84 ROCK1 (0.50) HRH1CCR3KCNH2ROCK1ROCK2
SCHEMBL12193219 0.84 MAOA (0.48) HRH1CCR3KCNH2HRH3ROCK1
SCHEMBL12193230 0.84 NAMPT (0.49) HRH1CCR3KCNH2ROCK1ROCK2
SCHEMBL12193245 0.84 ROCK1 (0.49) HRH1CCR3KCNH2ROCK1ROCK2

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 HRH1 2904/4885CCR3 4183/4885KCNH2 2710/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 HRH1 2904/4885CCR3 4183/4885KCNH2 2710/4885

“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.

Send feedback