SCHEMBL10105083

SCHEMBL10105083

CN1C2CCC1C(c1ccc(Cl)nc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 1.00
CHRNA4 P43681 2/20 1.00
CHRNA3 P32297 1/20 0.61
CHRNA7 P36544 1/20 0.61
SLC6A3 Q01959 2/20 0.57

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
SCHEMBL8299695 0.85 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA3CHRNA7SLC6A3
SCHEMBL10122854 0.84 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA3CHRNA7SLC6A3
SCHEMBL13631842 0.83 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL12190769 0.82 CHRNB2 (0.70) CHRNB2CHRNA4SLC6A3
SCHEMBL12214113 0.82 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL12190803 0.82 CHRNB2 (0.70) CHRNB2CHRNA4SLC6A3
SCHEMBL8305181 0.82 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL12190790 0.80 CHRNB2 (0.67) CHRNB2CHRNA4SLC6A3
SCHEMBL8299723 0.80 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL12190788 0.79 CHRNB2 (0.65) CHRNB2CHRNA4SLC6A3

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
US-8557804-B2 Nicotinic receptor agonists for the treatment of inflammatory diseases UNIVERSITE LAVAL (CA) 2013-10-15 US disclosed
US-8557804-B2 Nicotinic receptor agonists for the treatment of inflammatory diseases UNIVERSITE LAVAL (CA) 2013-10-15 US disclosed
US-8551983-B2 Nicotinic receptor agonists for the treatment of inflammatory diseases UNIVERSITE LAVAL (CA) 2013-10-08 US disclosed
US-8551983-B2 Nicotinic receptor agonists for the treatment of inflammatory diseases UNIVERSITE LAVAL (CA) 2013-10-08 US disclosed
US-20120022049-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITE LAVAL (CA) 2012-01-26 US disclosed
US-20120022049-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITE LAVAL (CA) 2012-01-26 US disclosed
US-8039459-B2 especially dimethylphenylpiperazinium; treating a variety of pulmonary diseases with fewer side effects than other anti-inflammatory drugs, such as steroids UNIVERSITE LAVAL (CA) 2011-10-18 US disclosed
US-8039459-B2 especially dimethylphenylpiperazinium; treating a variety of pulmonary diseases with fewer side effects than other anti-inflammatory drugs, such as steroids UNIVERSITE LAVAL (CA) 2011-10-18 US disclosed
US-20080221085-A1 Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases UNIVERSITE LAVAL (CA) 2008-09-11 US disclosed
US-20080221085-A1 Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases UNIVERSITE LAVAL (CA) 2008-09-11 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 (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-20080221085-A1 Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases CHRNA1, CHRNG, CHRM1 CHRNB2 23/4885CHRNA4 18/4885CHRNA3 14/4885
US-20120022049-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES CHRNA1, CHRNG, CHRM1 CHRNB2 23/4885CHRNA4 18/4885CHRNA3 14/4885

“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.