SCHEMBL6392189

SCHEMBL6392189

O=C(NC1CC2CC1CN2)c1ccc2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
MAPK14 Q16539 1/20 0.47
CTNNB1 P35222 5/20 0.47
WNT3A P56704 5/20 0.47
MAOB P27338 5/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
JAK2 O60674 1/20 0.44
DYRK3 O43781 1/20 0.42
MAP4K4 O95819 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CLK2 P49760 1/20 0.42
CSNK2A1 P68400 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42

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
SCHEMBL6389862 0.91 MAOB (0.47) ROCK2ROCK1MAPK14MAOBNPC1
SCHEMBL6488542 0.81 SMYD3 (0.55) CTNNB1WNT3AMAOBNPC1RAB9A
SCHEMBL6101484 0.81 SSTR3 (0.47)
SCHEMBL29455221 0.80 EPHX2 (0.38) ROCK2ROCK1
SCHEMBL6480026 0.78 CHRNA7 (0.58) MAPK14
SCHEMBL6099763 0.78 DEGS1 (0.39) NPC1RAB9ADYRK1A
SCHEMBL14129897 0.78 ROCK2 (0.50) ROCK2ROCK1MAPK14MAOBNPC1
SCHEMBL6098549 0.77 HTR3A (0.60) NPC1RAB9A
SCHEMBL18034970 0.77 NPC1 (0.61) ROCK2ROCK1MAPK14CTNNB1WNT3A
SCHEMBL6099482 0.77 F10 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 US claimed
US-6849620-B2 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PFIZER INC (US) 2005-02-01 US disclosed
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 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-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease CYP1B1, ABCB1, NAT1 ROCK2 4353/4885ROCK1 4295/4885MAPK14 4706/4885

“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.