SCHEMBL7104039

SCHEMBL7104039

CNC(C)C/C=C/c1cncc(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.60
CHRNA4 P43681 2/20 0.60
PTGS2 P35354 2/20 0.42
CTSL P07711 1/20 0.40
CTSK P43235 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
HTR2A P28223 3/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
HDAC1 Q13547 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SLC18A2 Q05940 1/20 0.35

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
SCHEMBL7100863 0.87 CHRNB2 (0.56) CHRNB2CHRNA4PTGS2CTSLCTSK
SCHEMBL7618391 0.85 CHRNB2 (0.60) CHRNB2CHRNA4PTGS2CYP11B1CYP11B2
SCHEMBL7104357 0.85 CHRNB2 (0.60) CHRNB2CHRNA4PTGS2CYP11B1CYP11B2
SCHEMBL618790 0.81 CHRNB2 (0.56) CHRNB2CHRNA4HTR2A
SCHEMBL620684 0.81 CHRNB2 (0.69) CHRNB2CHRNA4PTGS2HTR2AMKNK2
SCHEMBL618784 0.81 CHRNB2 (0.69) CHRNB2CHRNA4PTGS2HTR2AMKNK2
SCHEMBL7099607 0.81 CHRNB2 (0.69) CHRNB2CHRNA4PTGS2HTR2AMKNK2
SCHEMBL618783 0.81 CHRNB2 (0.69) CHRNB2CHRNA4PTGS2HTR2AMKNK2
SCHEMBL620685 0.81 CHRNB2 (0.69) CHRNB2CHRNA4PTGS2HTR2AMKNK2
SCHEMBL6659860 0.78 CHRNB2 (0.58) CHRNB2CHRNA4PTGS2CTSLCTSK

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 145/4885PTGS2 1278/4885

“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.