SCHEMBL3313248

SCHEMBL3313248

CC(C)N1CC[C@@H](Nc2ccc3cnccc3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRMT3 O60678 11/20 0.40
▸ ROCK2 O75116 5/20 0.40
▸ ROCK1 Q13464 3/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ DDX3X O00571 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
SCHEMBL3313256 1.00 PRMT3 (0.40) PRMT3ROCK2ROCK1HRH3GBA1
SCHEMBL3315427 0.93 HRH3 (0.45) PRMT3ROCK2ROCK1HRH3GBA1
SCHEMBL3316815 0.90 IMPDH2 (0.42) PRMT3ROCK2ROCK1IMPDH2DDX3X
SCHEMBL3318830 0.88 PRMT3 (0.41) PRMT3ROCK2ROCK1
SCHEMBL3318835 0.88 PRMT3 (0.41) PRMT3ROCK2ROCK1
SCHEMBL3833348 0.84 ROCK2 (0.43) PRMT3ROCK2ROCK1
SCHEMBL3316796 0.83 ROCK2 (0.54) PRMT3ROCK2ROCK1
SCHEMBL3316792 0.83 ROCK2 (0.54) PRMT3ROCK2ROCK1
SCHEMBL3837972 0.82 ROCK2 (0.43) PRMT3ROCK2ROCK1IMPDH2CYP3A4
SCHEMBL3315792 0.81 ROCK2 (0.58) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 — — US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 — — US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 — — US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 — — US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 — — US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 — — US 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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 PRMT3 716/4885ROCK2 6/4885ROCK1 5/4885

“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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