SCHEMBL3318786

SCHEMBL3318786

CC(C)CCN1CCC(NCc2ccc3cnccc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.45
ROCK2 O75116 5/20 0.45
CCR3 P51677 1/20 0.43
CARM1 Q86X55 7/20 0.41
PRMT6 Q96LA8 7/20 0.41
PRMT8 Q9NR22 1/20 0.41
NAMPT P43490 1/20 0.40
KCNH2 Q12809 3/20 0.40
WNT1 P04628 1/20 0.40
DYRK1A Q13627 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
SCHEMBL3315397 0.89 ROCK1 (0.53) ROCK1ROCK2CCR3NAMPTKCNH2
SCHEMBL3315981 0.88 ROCK2 (0.52) ROCK1ROCK2CCR3CARM1PRMT6
SCHEMBL3313446 0.86 ROCK2 (0.45) ROCK1ROCK2CCR3CARM1PRMT6
SCHEMBL3311418 0.85 CCR3 (0.43) ROCK1ROCK2CCR3CARM1PRMT6
SCHEMBL3313713 0.83 CCR3 (0.46) ROCK1ROCK2CCR3
SCHEMBL3314072 0.83 CCR3 (0.45) CCR3CARM1PRMT6PRMT8KCNH2
SCHEMBL3311276 0.82 ROCK2 (0.51) ROCK1ROCK2NAMPTKCNH2WNT1
SCHEMBL3317311 0.80 ACHE (0.59) ROCK1ROCK2CCR3
SCHEMBL3315792 0.79 ROCK2 (0.58) ROCK1ROCK2NAMPT
SCHEMBL3315893 0.79 ROCK2 (0.58) ROCK1ROCK2NAMPT

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 4 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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
EP-2114920-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-11 EP disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE 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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 ROCK1 5/4885ROCK2 6/4885CCR3 4377/4885

“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.