SCHEMBL8300838

SCHEMBL8300838

CC(C)(C)OC(=O)N1C2CC3(OCCO3)C1CC2c1ccc(Cl)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
PDE1C Q14123 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
POLB P06746 1/20 0.33
KCNK3 O14649 2/20 0.33
KCNK9 Q9NPC2 2/20 0.33
TERT O14746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RET P07949 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA2 Q15822 1/20 0.31

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
SCHEMBL8300882 0.83 CHRNB2 (0.38) CHRNB2CHRNA4PDE1CDDB1CRBN
SCHEMBL2501141 0.77 CHRNB2 (0.43) CHRNB2CHRNA4ALDH1A1CHRNB4CHRNA3
SCHEMBL2501139 0.77 CHRNB2 (0.43) CHRNB2CHRNA4ALDH1A1CHRNB4CHRNA3
SCHEMBL2493562 0.77 CHRNB2 (0.43) CHRNB2CHRNA4DDB1CRBNCHRNB4
SCHEMBL2496717 0.76 CHRNB2 (0.43) CHRNB2CHRNA4PDE1CDDB1CRBN
SCHEMBL2496720 0.76 CHRNB2 (0.43) CHRNB2CHRNA4PDE1CDDB1CRBN
SCHEMBL2500351 0.72 CHRNB2 (0.43) CHRNB2CHRNA4PDE1CDDB1CRBN
SCHEMBL2500349 0.72 CHRNB2 (0.43) CHRNB2CHRNA4PDE1CDDB1CRBN
SCHEMBL2497733 0.72 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2
SCHEMBL12190738 0.71 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2

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 3 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-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

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 4/4885PDE1C 658/4885

“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.