SCHEMBL6209191

SCHEMBL6209191

CCC1C(NC(=O)c2ccc(Cl)cc2)C2CCN1CC2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.63
CHRNB2 P17787 11/20 0.63
CHRNA4 P43681 11/20 0.63
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL6208409 0.93 GAA (0.62) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL6208322 0.83 CHRNA7 (0.77) CHRNA7CHRNB2CHRNA4
SCHEMBL5373596 0.83 CHRNA7 (0.56) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL6207630 0.83 CHRNA7 (0.56) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
Hydrochloric Acid SCHEMBL6208049 0.82 CHRNA7 (0.76) CHRNA7CHRNB2CHRNA4
SCHEMBL6207972 0.81 CHRNA7 (0.51) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL6207641 0.78 GAA (0.63) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL372648 0.78 CHRNB2 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL6880022 0.77 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL6882314 0.77 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4HTR3EHTR3B

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-1389208-B1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) PHARMACIA & UPJOHN CO LLC (US) 2005-12-28 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-2002085901-A1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-10-31 WO claimed
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 (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-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease CHRNA1, CHRNA7, CHRNA5 CHRNA7 2/4885CHRNB2 10/4885CHRNA4 12/4885

“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.