SCHEMBL3323019

SCHEMBL3323019

CNC(C)CC=Cc1ccc(O)nc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.60
CHRNA4 P43681 3/20 0.60
HTR2A P28223 3/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3323013 1.00 CHRNB2 (0.60) CHRNB2CHRNA4HTR2AGRIK1GRIK2
Oxalic Acid SCHEMBL3323309 0.93 CHRNB2 (0.53) CHRNB2CHRNA4GRIK1GRIK2
Oxalic Acid SCHEMBL3323301 0.93 CHRNB2 (0.53) CHRNB2CHRNA4GRIK1GRIK2
SCHEMBL3326239 0.82 CHRNB2 (0.56) CHRNB2CHRNA4HTR2A
SCHEMBL3326235 0.82 CHRNB2 (0.56) CHRNB2CHRNA4HTR2A
SCHEMBL3326232 0.82 CHRNB2 (0.56) CHRNB2CHRNA4HTR2A
SCHEMBL3325052 0.79 CHRNB2 (0.57) CHRNB2CHRNA4MEN1KMT2A
SCHEMBL3325047 0.79 CHRNB2 (0.57) CHRNB2CHRNA4MEN1KMT2A
SCHEMBL3323305 0.77 CHRNB2 (0.52) CHRNB2CHRNA4GRIK1GRIK2CYP2C9
SCHEMBL620193 0.76 CHRNB2 (0.56) CHRNB2CHRNA4HTR2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253616-A1 Process for the preparation of compounds capable of activating cholinergic receptors Targacept, Inc. (US) 2010-11-24 EP disclosed
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-05-13 US disclosed
US-20060293289-A1 Compounds Capable of Activating Cholinergic Receptors CALDWELL WILLIAM S 2006-12-28 US disclosed
US-7045538-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2006-05-16 US disclosed
US-6979695-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2005-12-27 US disclosed
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP disclosed
US-20050148611-A1 Compounds capable of activating cholinergic receptors CALDWELL WILLIAM S (US) 2005-07-07 US disclosed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO disclosed
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders TARGACEPT, INC. 2003-07-03 US 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 (4 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-20050148611-A1 Compounds capable of activating cholinergic receptors CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885HTR2A 219/4885
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 CHRNB2 9/4885CHRNA4 7/4885HTR2A 120/4885
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885HTR2A 219/4885
US-20060293289-A1 Compounds Capable of Activating Cholinergic Receptors CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885HTR2A 219/4885

“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.