SCHEMBL3046913

SCHEMBL3046913

CCCCCN1CC2CC(C1)CN(CCCCC)C2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.55
EBP Q15125 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
GLB1 P16278 1/20 0.48
GBA1 P04062 3/20 0.46
GNAI3 P08754 6/20 0.44
GNAO1 P09471 6/20 0.44
GNAI1 P63096 6/20 0.44

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
SCHEMBL18236645 0.84 GLB1 (0.52) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL2325468 0.82 GBA1 (0.42) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL18236649 0.82 GLB1 (0.50) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL23767404 0.80 GUSB (0.59) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL19275301 0.79 GUSB (0.59) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL20858345 0.79 GUSB (0.59) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL13182863 0.79 EBP (0.59) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL20858275 0.79 GUSB (0.59) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL15363044 0.78 EBP (0.63) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL15362952 0.77 EBP (0.62) GUSBEBPSIGMAR1GLB1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41439-E1 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2010-07-13 US disclosed
EP-1289996-B1 HETEROARYLDIAZABICYCLOALKANES AS NICOTINIC CHOLINERGIC RECEPTOR LIGANDS TARGACEPT INC (US) 2005-04-06 EP disclosed
US-6852721-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-02-08 US disclosed
EP-1289996-A1 HETEROARYLDIAZABICYCLOALKANES AS NICOTINIC CHOLINERGIC RECEPTOR LIGANDS Targacept, Inc. (US) 2003-03-12 EP disclosed
US-6440970-B1 ACTIVATING NICOTINIC CHOLERGINIC RECEPTORS TARGACEPT, INC. 2002-08-27 US disclosed
US-20020013309-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-01-31 US disclosed
WO-2001090109-A1 HETEROARYLDIAZABICYCLOALKANES AS NICOTINIC CHOLINERGIC RECEPTOR LIGANDS TARGACEPT, INC. (US) 2001-11-29 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-20020013309-A1 Pharmaceutical compositions and methods for use CYP2D6, CYP3A5, CYP2B6 GUSB 1356/4885EBP 3459/4885SIGMAR1 635/4885

“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.