SCHEMBL3313713

SCHEMBL3313713

c1cc2cc(CNC3CCN(CC4CC4)CC3)ccc2cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.46
CYP19A1 P11511 1/20 0.40
ROCK1 Q13464 5/20 0.40
ROCK2 O75116 5/20 0.40
ACHE P22303 6/20 0.40
BACE1 P56817 6/20 0.40
BCHE P06276 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
CCR2 P41597 2/20 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 0.86 ROCK2 (0.52) CCR3ROCK1ROCK2ACHEBACE1
SCHEMBL3311418 0.85 CCR3 (0.43) CCR3CYP19A1ROCK1ROCK2ACHE
SCHEMBL3315397 0.85 ROCK1 (0.53) CCR3CYP19A1ROCK1ROCK2ACHE
SCHEMBL3317311 0.85 ACHE (0.59) CCR3ROCK1ROCK2ACHEBACE1
SCHEMBL3313446 0.84 ROCK2 (0.45) CCR3ROCK1ROCK2ACHEBACE1
SCHEMBL3318786 0.83 ROCK1 (0.45) CCR3ROCK1ROCK2
SCHEMBL3314072 0.83 CCR3 (0.45) CCR3ACHEBACE1BCHE
SCHEMBL3313389 0.80 PRMT3 (0.44) ROCK1ROCK2CCR2
SCHEMBL3314997 0.80 IKBKB (0.48) CYP19A1ROCK1ROCK2KDM4EALDH1A1
SCHEMBL3312072 0.77 ROCK2 (0.44) ROCK1ROCK2CCR2

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 CCR3 4377/4885CYP19A1 2264/4885ROCK1 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.