SCHEMBL5833647

SCHEMBL5833647

NCC1C2CCC1N(Cc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
ARHGDIA P52565 1/20 0.45
ROCK1 Q13464 1/20 0.45
MAPT P10636 1/20 0.41

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
SCHEMBL5833930 0.85 ROCK2 (0.42) ROCK2ARHGDIAROCK1MAPT
SCHEMBL5833283 0.84 GBA1 (0.46) ROCK2ARHGDIAROCK1MAPT
SCHEMBL9678342 0.82 SIGMAR1 (0.45) ROCK2ARHGDIAROCK1MAPT
SCHEMBL5833935 0.81 ROCK2 (0.41) ROCK2ARHGDIAROCK1MAPT
SCHEMBL1976244 0.81 ROCK2 (0.44) ROCK2ARHGDIAROCK1MAPT
SCHEMBL1976246 0.81 ROCK2 (0.44) ROCK2ARHGDIAROCK1MAPT
SCHEMBL6545137 0.81 SIGMAR1 (0.44) ROCK2ARHGDIAROCK1MAPT
Hydrochloric Acid SCHEMBL6707460 0.80 SIGMAR1 (0.43) ROCK2ARHGDIAROCK1MAPT
SCHEMBL6180409 0.79 KDM4E (0.44) ROCK2ARHGDIAROCK1MAPT
SCHEMBL4191012 0.79 FUCA1 (0.50)

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-7008955-B2 (2-azabicyclo[2.2.1]hept-7yl) methanol derivatives as nicotinic acetylcholine receptor agonists MERCK PATENT GMBH (DE) 2006-03-07 US disclosed
EP-1317430-B1 (2-AZABICYCLO [2.2.1]HEPT-7-YL)METHANOL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS MERCK PATENT GMBH (DE) 2005-05-18 EP disclosed
US-20040110788-A1 Nicotinic acetylcholine receptor ligands MERCK PATENT GMBH (DE) 2004-06-10 US disclosed
US-20040039045-A1 (2-azabicyclo[2.2.1]hept-7yl) methanol derivatives as nicotinic acetylcholine receptor agonists MERCK PATENT GMBH (DE) 2004-02-26 US disclosed
EP-1379502-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS MERCK PATENT GmbH (DE) 2004-01-14 EP disclosed
EP-1317430-A1 (2-AZABICYCLO 2.2.1]HEPT-7-YL)METHANOL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS MERCK PATENT GmbH (DE) 2003-06-11 EP disclosed
WO-2002083640-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS MERCK PATENT GMBH (DE) 2002-10-24 WO disclosed
WO-2002022578-A1 (2-AZABICYCLO[2.2.1]HEPT-7-YL)METHANOL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS MERCK PATENT GMBH (DE) 2002-03-21 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-20040039045-A1 (2-azabicyclo[2.2.1]hept-7yl) methanol derivatives as nicotinic acetylcholine receptor agonists CHRNA1, CHRNA10, CHRNB1 ROCK2 2739/4885ARHGDIA 1117/4885ROCK1 1757/4885
US-20040110788-A1 Nicotinic acetylcholine receptor ligands CHRNA1, CHRNA2, CHRNA10 ROCK2 2334/4885ARHGDIA 1061/4885ROCK1 1145/4885

“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.