SCHEMBL3322900

SCHEMBL3322900

CN[C@@H](C)CC=Cc1cnc(OC)nc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
ACACB O00763 2/20 0.35
CRHR1 P34998 1/20 0.34
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
HCK P08631 1/20 0.31
SRC P12931 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
EPHB4 P54760 1/20 0.31
PRKDC P78527 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31

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
SCHEMBL3322899 1.00 CHRNB2 (0.42) CHRNB2CHRNA4ACACBCRHR1QPCT
SCHEMBL3322904 1.00 CHRNB2 (0.42) CHRNB2CHRNA4ACACBCRHR1QPCT
SCHEMBL13334630 0.84 HTR2A (0.37) ACACBCRHR1QPCTQPCTLPIK3CD
SCHEMBL13334664 0.77 CRHR1 (0.33) ACACBCRHR1
SCHEMBL12408963 0.74 QPCT (0.38) ACACBCRHR1QPCTQPCTLPIK3CD
SCHEMBL4082657 0.72 QPCT (0.38) ACACBCRHR1QPCTQPCTLPIK3CD
SCHEMBL8966682 0.72 QPCT (0.38) ACACBCRHR1QPCTQPCTLPIK3CD
SCHEMBL8966684 0.72 QPCT (0.38) ACACBCRHR1QPCTQPCTLPIK3CD
SCHEMBL4082660 0.72 QPCT (0.38) ACACBCRHR1QPCTQPCTLPIK3CD
SCHEMBL3327278 0.72 ACACB (0.33) ACACBMYC

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 9/4885ACACB 1849/4885
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 CHRNB2 9/4885CHRNA4 7/4885ACACB 1901/4885
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885ACACB 1849/4885
US-20060293289-A1 Compounds Capable of Activating Cholinergic Receptors CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885ACACB 1849/4885

“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.