SCHEMBL3314072

SCHEMBL3314072

FC(F)(F)CCN1CCC(NCc2ccc3cnccc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.45
CARM1 Q86X55 7/20 0.44
PRMT6 Q96LA8 7/20 0.44
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
GSK3B P49841 4/20 0.39
DYRK1A Q13627 4/20 0.39
WNT1 P04628 3/20 0.39
PRMT8 Q9NR22 1/20 0.39
CD38 P28907 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3315981 0.85 ROCK2 (0.52) CCR3CARM1PRMT6BCHEACHE
SCHEMBL3313446 0.83 ROCK2 (0.45) CCR3CARM1PRMT6ACHEBACE1
SCHEMBL3313713 0.83 CCR3 (0.46) CCR3BCHEACHEBACE1
SCHEMBL3311418 0.83 CCR3 (0.43) CCR3CARM1PRMT6ACHEBACE1
SCHEMBL3318786 0.83 ROCK1 (0.45) CCR3CARM1PRMT6DYRK1AWNT1
SCHEMBL3319729 0.82 ROCK2 (0.43) GSK3BDYRK1AWNT1CD38
SCHEMBL3315397 0.80 ROCK1 (0.53) CCR3ACHEBACE1GSK3BDYRK1A
SCHEMBL3317311 0.80 ACHE (0.59) CCR3BCHEACHEBACE1
SCHEMBL3313336 0.78 ROCK2 (0.43) CD38
SCHEMBL3313343 0.78 ROCK2 (0.43) CD38

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 2 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

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 CCR3 4377/4885CARM1 2191/4885PRMT6 652/4885

“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.