SCHEMBL2496002

SCHEMBL2496002

CC(C)(C)OC(=O)N1C2CCC1C(c1ccc(Cl)nc1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
TERT O14746 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PDE1C Q14123 1/20 0.35
ALDH1A1 P00352 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33

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
SCHEMBL2496001 1.00 CHRNB2 (0.39) CHRNB2CHRNA4DDB1CRBNTERT
SCHEMBL2497881 1.00 CHRNB2 (0.39) CHRNB2CHRNA4DDB1CRBNTERT
SCHEMBL2496717 0.79 CHRNB2 (0.43) CHRNB2CHRNA4DDB1CRBNTERT
SCHEMBL2496720 0.79 CHRNB2 (0.43) CHRNB2CHRNA4DDB1CRBNTERT
SCHEMBL1725017 0.78 CHRM2 (0.33) DDB1CRBNCHRM2CHRM1CHRM3
SCHEMBL2495504 0.78 CHRNB2 (0.41) CHRNB2CHRNA4DDB1CRBNCHRM2
SCHEMBL31640324 0.76 CHRM2 (0.51) CHRNB2CHRNA4DDB1CRBNCHRM2
SCHEMBL2493562 0.76 CHRNB2 (0.43) CHRNB2CHRNA4DDB1CRBNCHRM2
SCHEMBL2501139 0.76 CHRNB2 (0.43) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL2501141 0.76 CHRNB2 (0.43) CHRNB2CHRNA4CHRM2CHRM1CHRM3

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 6 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
WO-2005000806-A2 LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, AND METHODS OF MAKING AND USING THEM GEORGETOWN UNIVERSITY (US) 2005-01-06 WO disclosed
WO-2005000806-A2 LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, AND METHODS OF MAKING AND USING THEM GEORGETOWN UNIVERSITY (US) 2005-01-06 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-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them CHRNA5, OPRL1, TAAR5 CHRNB2 36/4885CHRNA4 4/4885DDB1 3728/4885

“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.