SCHEMBL7102518

SCHEMBL7102518

CNC(C)C/C=C/c1cncc(C#Cc2ccc(OC)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.57
CHRNA4 P43681 2/20 0.57
ACACB O00763 7/20 0.38
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKACA P17612 1/20 0.36
ROCK1 Q13464 1/20 0.36
DYRK1A Q13627 1/20 0.36
NTRK3 Q16288 1/20 0.36
PKN2 Q16513 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
STK17A Q9UEE5 1/20 0.36
GRM5 P41594 2/20 0.35
APP P05067 2/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34

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
SCHEMBL618790 0.86 CHRNB2 (0.56) CHRNB2CHRNA4GRM5
SCHEMBL7104357 0.82 CHRNB2 (0.60) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL7684179 0.82 CHRNB2 (0.67) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL7098950 0.82 CHRNB2 (0.67) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL7618391 0.82 CHRNB2 (0.60) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL621495 0.81 CHRNB2 (0.78) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL620297 0.81 CHRNB2 (0.78) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL620296 0.81 CHRNB2 (0.78) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL617913 0.81 CHRNB2 (0.78) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL617912 0.81 CHRNB2 (0.78) CHRNB2CHRNA4ROCK2MAP4K4PRKACA

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 145/4885ACACB 1489/4885

“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.