SCHEMBL5849404

SCHEMBL5849404

C(=C[C@H]1CCCN1)c1cncc(OC2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.44
ROCK1 Q13464 2/20 0.44
CHUK O15111 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CLK2 P49760 1/20 0.44
PRKX P51817 1/20 0.44
PRKG2 Q13237 1/20 0.44
DYRK1A Q13627 1/20 0.44
PRKG1 Q13976 1/20 0.44
PKN2 Q16513 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL5850418 1.00 AKT1 (0.44) AKT1ROCK1CHUKDYRK3ROCK2
SCHEMBL5849397 1.00 AKT1 (0.44) AKT1ROCK1CHUKDYRK3ROCK2
SCHEMBL5849352 0.90 AKT1 (0.47) AKT1ROCK1CHUKDYRK3ROCK2
SCHEMBL5849363 0.90 AKT1 (0.47) AKT1ROCK1CHUKDYRK3ROCK2
SCHEMBL5849343 0.90 AKT1 (0.47) AKT1ROCK1CHUKDYRK3ROCK2
SCHEMBL5849368 0.90 AKT1 (0.47) AKT1ROCK1CHUKDYRK3ROCK2
SCHEMBL5849559 0.89 AKT1 (0.46) AKT1ROCK1CHUKDYRK3ROCK2
SCHEMBL5850394 0.89 AKT1 (0.46) AKT1ROCK1CHUKDYRK3ROCK2
SCHEMBL5849565 0.89 AKT1 (0.46) AKT1ROCK1CHUKDYRK3ROCK2
SCHEMBL344202 0.79 CHUK (0.55) AKT1ROCK1CHUKDYRK3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101896-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-09-05 US disclosed
US-20050267111-A1 Pharmaceutical compositions and methods for use DULL GARY M 2005-12-01 US disclosed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US disclosed
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 WO disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 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 (2 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-20050267111-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 AKT1 3325/4885ROCK1 3535/4885CHUK 3651/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 AKT1 3325/4885ROCK1 3535/4885CHUK 3651/4885

“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.