SCHEMBL2500469

SCHEMBL2500469

Cc1ccc(S(=O)(=O)OCCCCC#Cc2cncc(OC[C@@H]3CCN3C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.46
CHRNA3 P32297 9/20 0.46
CHRNB4 P30926 3/20 0.43
CHRNB1 P11230 2/20 0.43
CHRNB3 Q05901 2/20 0.43
CHRNA4 P43681 3/20 0.40
CHRNA2 Q15822 2/20 0.40
GPR119 Q8TDV5 4/20 0.37

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
SCHEMBL2498122 0.96 CHRNA3 (0.51) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL16361532 0.89 CHRNB2 (0.42) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA2
SCHEMBL17474730 0.88 ALOX5AP (0.35) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA2
SCHEMBL17474729 0.88 ALOX5AP (0.35) CHRNB2CHRNA3CHRNB4CHRNA4CHRNA2
SCHEMBL2494032 0.84 CHRNA3 (0.64) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL6584907 0.83 CHRNA3 (0.58) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL2497766 0.83 CHRNB2 (0.63) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL14941778 0.83 CHRNB2 (0.62) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL12807443 0.83 CHRNA3 (0.60) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL6584809 0.83 CHRNB2 (0.62) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030300-B2 2-pyrrolidinyloxy-substituted pyridine; Alzheimer's disease, Parkinson's disease, dyskinesias, Tourette's syndrome, schizophrenia, attention deficit disorder, anxiety, pain, depression, obsessive compulsive disorder GEORGETOWN UNIVERSITY (US) 2011-10-04 US disclosed
US-8030300-B2 2-pyrrolidinyloxy-substituted pyridine; Alzheimer's disease, Parkinson's disease, dyskinesias, Tourette's syndrome, schizophrenia, attention deficit disorder, anxiety, pain, depression, obsessive compulsive disorder GEORGETOWN UNIVERSITY (US) 2011-10-04 US disclosed
US-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them GEORGETOWN UNIVERSITY (US) 2008-06-05 US disclosed
US-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them GEORGETOWN UNIVERSITY (US) 2008-06-05 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 (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-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them CHRNA5, OPRL1, TAAR5 CHRNB2 36/4885CHRNA3 20/4885CHRNB4 26/4885

“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.