SCHEMBL7102902

SCHEMBL7102902

CNC(C)C/C=C/c1cncc(Oc2ccc(O)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.66
CHRNA4 P43681 3/20 0.66
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
AKT1 P31749 5/20 0.36
ROCK2 O75116 2/20 0.35
MAP4K4 O95819 2/20 0.35
PRKACA P17612 2/20 0.35
ROCK1 Q13464 2/20 0.35
DYRK1A Q13627 2/20 0.35
PKN2 Q16513 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
STK17A Q9UEE5 2/20 0.35
NTRK3 Q16288 1/20 0.35
LTA4H P09960 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.33

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 0.89 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7098950 0.89 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL618968 0.88 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL620182 0.88 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL620766 0.88 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL620767 0.88 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL618969 0.88 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5878876 0.88 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL620183 0.88 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL620025 0.88 CHRNB2 (0.66) 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 145/4885CHRNB4 168/4885

“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.