SCHEMBL7102989

SCHEMBL7102989

CNC(C)C/C=C/c1cncc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.60
CHRNA4 P43681 3/20 0.60
RAF1 P04049 2/20 0.47
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
AKT1 P31749 1/20 0.30
GRIA2 P42262 1/20 0.30

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
SCHEMBL7099032 0.86 CHRNB2 (0.60) CHRNB2CHRNA4RAF1CHRNB4CHRNA3
SCHEMBL618790 0.82 CHRNB2 (0.56) CHRNB2CHRNA4RAF1
SCHEMBL619003 0.79 CHRNB2 (0.58) CHRNB2CHRNA4RAF1CHRNB4CHRNA3
SCHEMBL620503 0.79 CHRNB2 (0.58) CHRNB2CHRNA4RAF1CHRNB4CHRNA3
SCHEMBL620502 0.79 CHRNB2 (0.58) CHRNB2CHRNA4RAF1CHRNB4CHRNA3
SCHEMBL619002 0.79 CHRNB2 (0.58) CHRNB2CHRNA4RAF1CHRNB4CHRNA3
SCHEMBL620784 0.78 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14391300 0.78 CHRNB2 (0.68) CHRNB2CHRNA4RAF1CHRNB4CHRNA3
SCHEMBL621477 0.78 CHRNB2 (0.68) CHRNB2CHRNA4RAF1CHRNB4CHRNA3
SCHEMBL620785 0.78 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 145/4885RAF1 4589/4885

“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.