SCHEMBL7101224

SCHEMBL7101224

CNC(C)C/C=C/c1cncc(OCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.65
CHRNA4 P43681 3/20 0.65
AKT1 P31749 8/20 0.47
ROCK2 O75116 2/20 0.47
PIM1 P11309 2/20 0.47
PRKACA P17612 2/20 0.47
RPS6KB1 P23443 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
PRKCD Q05655 2/20 0.47
ROCK1 Q13464 2/20 0.47
DYRK1A Q13627 2/20 0.47
CDC42BPA Q5VT25 2/20 0.47
RPS6KA5 O75582 1/20 0.47
MAP4K4 O95819 1/20 0.47
CLK2 P49760 1/20 0.47
PRKX P51817 1/20 0.47
PRKG2 Q13237 1/20 0.47
PRKG1 Q13976 1/20 0.47
PKN2 Q16513 1/20 0.47

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
SCHEMBL618783 0.84 CHRNB2 (0.69) CHRNB2CHRNA4AKT1ROCK2PIM1
SCHEMBL620685 0.84 CHRNB2 (0.69) CHRNB2CHRNA4AKT1ROCK2PIM1
SCHEMBL7099607 0.84 CHRNB2 (0.69) CHRNB2CHRNA4AKT1ROCK2PIM1
SCHEMBL618784 0.84 CHRNB2 (0.69) CHRNB2CHRNA4AKT1ROCK2PIM1
SCHEMBL620684 0.84 CHRNB2 (0.69) CHRNB2CHRNA4AKT1ROCK2PIM1
SCHEMBL905209 0.83 CHRNB2 (0.74) CHRNB2CHRNA4AKT1ROCK2PIM1
SCHEMBL1421800 0.83 CHRNB2 (0.74) CHRNB2CHRNA4AKT1ROCK2PIM1
SCHEMBL1421803 0.83 CHRNB2 (0.74) CHRNB2CHRNA4AKT1ROCK2PIM1
SCHEMBL905210 0.83 CHRNB2 (0.74) CHRNB2CHRNA4AKT1ROCK2PIM1
SCHEMBL6659998 0.81 CHRNB2 (0.69) CHRNB2CHRNA4AKT1ROCK2PIM1

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-20030087915-A1 Pharmaceutical compositions and methods for use DULL GARY MAURICE (US) 2003-05-08 US disclosed
US-6492399-B1 SUCH AS N-METHYL-4-(3-(5-NITRO-6-AMINOPYRIDIN)YL)-3-BUTEN-1-AMINE; NICOTINIC CHOLINERGIC RECEPTOR AGONISTS TARGACEPT, INC. 2002-12-10 US disclosed
US-6455554-B1 COMPOUNDS CAPABLE OF AFFECTING NICOTINIC CHOLINERGIC RECEPTORS; TREATOMG CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-09-24 US disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 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-20030087915-A1 Pharmaceutical compositions and methods for use H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, HTR3E CHRNB2 227/4885CHRNA4 145/4885AKT1 3878/4885

“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.