SCHEMBL6190096

SCHEMBL6190096

CCOc1cncc(N2CC3CNCC(C3)C2)c1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.74
CHRNA4 P43681 9/20 0.74
CHRNB4 P30926 7/20 0.57
CHRNA3 P32297 7/20 0.57
CHRNA7 P36544 1/20 0.53

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
SCHEMBL6187460 0.92 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL649887 0.86 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL649885 0.86 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7687947 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7684006 0.86 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL650002 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL650001 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5371326 0.85 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7689707 0.85 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7685793 0.83 CHRNB4 (0.56) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274710-B1 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH AS (DK) 2005-02-23 EP claimed
US-6815438-B2 CENTRAL NERVOUS SYSTEM DISORDERS NEUROSEARCH A/S (DK) 2004-11-09 US claimed
EP-1274710-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NeuroSearch A/S (DK) 2003-01-15 EP claimed
US-20030004153-A1 Novel heteroaryl-diazabicycloalkanes NEUROSEARCH A/S (DK) 2003-01-02 US claimed
WO-2001044243-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH A/S (DK) 2001-06-21 WO claimed
EP-1274710-B1 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH AS (DK) 2005-02-23 EP disclosed
US-6815438-B2 CENTRAL NERVOUS SYSTEM DISORDERS NEUROSEARCH A/S (DK) 2004-11-09 US disclosed
US-20030004153-A1 Novel heteroaryl-diazabicycloalkanes NEUROSEARCH A/S (DK) 2003-01-02 US disclosed
US-6440970-B1 ACTIVATING NICOTINIC CHOLERGINIC RECEPTORS TARGACEPT, INC. 2002-08-27 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 (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-20030004153-A1 Novel heteroaryl-diazabicycloalkanes CHRNA2, CHRNA5, CHRNA6 CHRNB2 6/4885CHRNA4 8/4885CHRNB4 11/4885

“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.