SCHEMBL2863110

SCHEMBL2863110

OC1C2CCN(CC2)C1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.68
TACR1 P25103 5/20 0.51
SLC18A3 Q16572 1/20 0.49
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
GRIN2B Q13224 2/20 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
SCHEMBL8864168 0.91 CHRNA7 (0.58) CHRNA7TACR1SLC18A3CHRNB2CHRNA4
SCHEMBL8863923 0.87 CHRNA7 (0.58) CHRNA7TACR1SLC18A3CHRNB2CHRNA4
SCHEMBL701302 0.82 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL699884 0.82 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL699598 0.82 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL8863987 0.80 CHRNA7 (0.53) CHRNA7CHRNB2CHRNA4
SCHEMBL6012064 0.79 CHRNA7 (0.68) CHRNA7TACR1SLC18A3CHRNB2CHRNA4
SCHEMBL7668602 0.75 CHRNA7 (0.85) CHRNA7CHRNB2CHRNA4
SCHEMBL28838840 0.75 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4
Methane SCHEMBL9464123 0.74 TACR1 (0.47) CHRNA7TACR1SLC18A3CHRNB2CHRNA4

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-7687630-B2 Method for producing optically active quinuclidinols having one or more substituted groups at the 2-position KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-30 US disclosed
US-20080081911-A1 Method for producing optically active quinuclidinols having one or more substituted groups at the 2-position KANTO KAGAKU KABUSHIKI KAISHA (JP) 2008-04-03 US disclosed
EP-1389208-B1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) PHARMACIA & UPJOHN CO LLC (US) 2005-12-28 EP disclosed
US-6869946-B2 Substituted azabicyclic moieties for the treatment of disease PFIZER INC (US) 2005-03-22 US disclosed
EP-1389208-A1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2004-02-18 EP disclosed
US-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-20 US disclosed
WO-2002085901-A1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-10-31 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 (2 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-20080081911-A1 Method for producing optically active quinuclidinols having one or more substituted groups at the 2-position NQO1, SQLE, NQO2 CHRNA7 2512/4885TACR1 2370/4885SLC18A3 1260/4885
US-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease CHRNA1, CHRNA7, CHRNA5 CHRNA7 2/4885TACR1 256/4885SLC18A3 419/4885

“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.