SCHEMBL7103887

SCHEMBL7103887

CNC(C)C/C=C/c1cnc(/C=C/c2ccccc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.59
CHRNA4 P43681 2/20 0.59
HTR2A P28223 3/20 0.47
GRM5 P41594 1/20 0.43
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
SLC18A2 Q05940 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MASP2 O00187 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
NPC1 O15118 1/20 0.35
MTOR P42345 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 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
SCHEMBL7103889 1.00 CHRNB2 (0.59) CHRNB2CHRNA4HTR2AGRM5GRIK1
SCHEMBL3326232 0.75 CHRNB2 (0.56) CHRNB2CHRNA4HTR2A
SCHEMBL3326235 0.75 CHRNB2 (0.56) CHRNB2CHRNA4HTR2A
SCHEMBL3326239 0.75 CHRNB2 (0.56) CHRNB2CHRNA4HTR2A
SCHEMBL620192 0.75 CHRNB2 (0.56) CHRNB2CHRNA4HTR2AMASP2
SCHEMBL620193 0.75 CHRNB2 (0.56) CHRNB2CHRNA4HTR2AMASP2
SCHEMBL620444 0.75 CHRNB2 (1.00) CHRNB2CHRNA4NPC1CYP2D6CYP2C9
SCHEMBL620443 0.75 CHRNB2 (1.00) CHRNB2CHRNA4NPC1CYP2D6CYP2C9
SCHEMBL2472105 0.75 CHRNB2 (1.00) CHRNB2CHRNA4NPC1CYP2D6CYP2C9
SCHEMBL620179 0.75 CHRNB2 (1.00) CHRNB2CHRNA4NPC1CYP2D6CYP2C9

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 145/4885HTR2A 37/4885

“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.