SCHEMBL6208322

SCHEMBL6208322

O=C(NC1C2CCN(CC2)C1Cc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.77
CHRNB2 P17787 14/20 0.77
CHRNA4 P43681 14/20 0.77

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
Hydrochloric Acid SCHEMBL6208049 0.99 CHRNA7 (0.76) CHRNA7CHRNB2CHRNA4
SCHEMBL372648 0.87 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL6209191 0.83 CHRNA7 (0.63) CHRNA7CHRNB2CHRNA4
SCHEMBL28838840 0.82 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4
SCHEMBL373001 0.81 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL13240100 0.80 CHRNA7 (0.81) CHRNA7CHRNB2CHRNA4
SCHEMBL373208 0.80 CHRNB2 (0.88) CHRNA7CHRNB2CHRNA4
SCHEMBL372864 0.78 CHRNA7 (0.83) CHRNA7CHRNB2CHRNA4
SCHEMBL834978 0.78 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL372691 0.76 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389208-B1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) PHARMACIA & UPJOHN CO LLC (US) 2005-12-28 EP claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
EP-1389208-A1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2004-02-18 EP claimed
US-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-20 US claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
WO-2002085901-A1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-10-31 WO claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease CHRNA1, CHRNA7, CHRNA5 CHRNA7 2/4885CHRNB2 10/4885CHRNA4 12/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CHRNA7 4467/4885CHRNB2 3665/4885CHRNA4 4704/4885

“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.