Sugi Predict

Sugi Predict / Compounds / SCHEMBL1705554

SCHEMBL1705554

SCHEMBL1705554

CC(=O)Nc1ccc(CN[C@H]2CC[C@@H](Oc3ccc4cnccc4c3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRMT3 O60678 7/20 0.44
▸ ROCK1 Q13464 3/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ ROCK2 O75116 3/20 0.43
▸ PRKCZ Q05513 1/20 0.43
▸ IMPDH2 P12268 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL1704953 1.00 PRMT3 (0.44) PRMT3ROCK1IKBKBROCK2PRKCZ
SCHEMBL1705012 1.00 PRMT3 (0.44) PRMT3ROCK1IKBKBROCK2PRKCZ
SCHEMBL1705744 0.85 NAMPT (0.48) PRMT3ROCK1IKBKBROCK2PRKCZ
SCHEMBL1705839 0.85 ROCK1 (0.49) ROCK1IKBKBROCK2PRKCZHRH3
SCHEMBL1705073 0.83 ROCK2 (0.49) ROCK1IKBKBROCK2PRKCZHRH3
SCHEMBL1705684 0.82 IKBKB (0.51) PRMT3ROCK1IKBKBROCK2PRKCZ
SCHEMBL1705262 0.82 ROCK1 (0.45) ROCK1IKBKBROCK2PRKCZHRH3
SCHEMBL1705995 0.82 ROCK1 (0.47) PRMT3ROCK1IKBKBROCK2PRKCZ
SCHEMBL1705071 0.81 ROCK1 (0.53) ROCK1IKBKBROCK2PRKCZIMPDH2
SCHEMBL1705070 0.81 ROCK1 (0.53) ROCK1IKBKBROCK2PRKCZIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 — — US claimed
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 — — EP claimed
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 — — US disclosed
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 — — US disclosed
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 — — US disclosed
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 — — EP disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 — — US disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 — — US disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 — — US disclosed
EP-2125746-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 — — EP disclosed
WO-2008077554-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 — — 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 (1 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-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives MYLK2, MYLK, MYLK3 PRMT3 641/4885ROCK1 8/4885IKBKB 1991/4885

“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.