SCHEMBL2962787

SCHEMBL2962787

Brc1cncc(N2CC3CC2CN3Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
CHRNB2 P17787 5/20 0.40
CHRNA4 P43681 5/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
SIGMAR1 Q99720 5/20 0.37
RET P07949 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
LRRK2 Q5S007 1/20 0.36
IDO1 P14902 1/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL2956095 0.85 HDAC1 (0.46) HDAC1CHRNB2CHRNA4SIGMAR1RET
SCHEMBL3043200 0.81 CHRNB2 (0.52) HDAC1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10511598 0.79 DRD3 (0.46) HDAC1SIGMAR1DRD2DRD4DRD3
SCHEMBL5493423 0.75 DRD3 (0.55) HDAC1SIGMAR1DRD2DRD4DRD3
SCHEMBL5498350 0.74 DRD4 (0.46) HDAC1SIGMAR1DRD2DRD4DRD3
SCHEMBL5493145 0.74 HDAC1 (0.46) HDAC1SIGMAR1DRD2DRD4DRD3
SCHEMBL14216615 0.73 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16370740 0.73 HDAC1 (0.44) HDAC1SIGMAR1DRD2DRD3LRRK2
SCHEMBL5038365 0.73 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6628645 0.73 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3

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 8 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
WO-2001090109-A9 HETEROARYLDIAZABICYCLOALKANES AS NICOTINIC CHOLINERGIC RECEPTOR LIGANDS TARGACEPT INC (US) 2003-03-27 WO 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 HDAC1 1955/4885CHRNB2 359/4885CHRNA4 385/4885

“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.