SCHEMBL7104366

SCHEMBL7104366

CNC(C)C/C=C/c1cncc(Oc2ccc3c(c2)OCO3)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.58
CHRNA4 P43681 3/20 0.58
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
FPR2 P25090 1/20 0.35
SCN9A Q15858 1/20 0.35
MAOB P27338 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7684179 0.81 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7098950 0.81 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5878876 0.80 CHRNB2 (0.66) CHRNB2CHRNA4SLC6A4CHRNB4CHRNA3
SCHEMBL618968 0.80 CHRNB2 (0.66) CHRNB2CHRNA4SLC6A4CHRNB4CHRNA3
SCHEMBL620183 0.80 CHRNB2 (0.66) CHRNB2CHRNA4CYP2D6SLC6A4ALDH1A1
SCHEMBL620182 0.80 CHRNB2 (0.66) CHRNB2CHRNA4CYP2D6SLC6A4ALDH1A1
SCHEMBL7102902 0.80 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL620767 0.80 CHRNB2 (0.66) CHRNB2CHRNA4CYP2D6SLC6A4ALDH1A1
SCHEMBL618969 0.80 CHRNB2 (0.66) CHRNB2CHRNA4SLC6A4CHRNB4CHRNA3
SCHEMBL5878883 0.80 CHRNB2 (0.66) CHRNB2CHRNA4SLC6A4CHRNB4CHRNA3

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 145/4885CYP2D6 19/4885

“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.