SCHEMBL2009166

SCHEMBL2009166

CC(C)(C)OC(=O)N1CCCCC1c1c[nH]c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.51
OPRL1 P41146 3/20 0.46
OPRM1 P35372 3/20 0.46
OPRK1 P41145 2/20 0.46
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAP2K1 Q02750 1/20 0.41
CAMKK1 Q8N5S9 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40

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
SCHEMBL27769226 0.85 HSD11B1 (0.52) HSD11B1OPRL1OPRM1OPRK1CAMKK1
SCHEMBL31285922 0.83 KDM4E (0.48) HSD11B1POLBKDM4E
SCHEMBL12509445 0.81 HSD11B1 (0.69) HSD11B1OPRL1OPRM1OPRK1
SCHEMBL2267177 0.81 HSD11B1 (0.63) HSD11B1OPRL1OPRM1OPRK1
SCHEMBL20111934 0.81 HSD11B1 (0.53) HSD11B1OPRL1OPRM1OPRK1
SCHEMBL2010568 0.80 HSD11B1 (0.62) HSD11B1OPRL1OPRM1OPRK1
SCHEMBL13532404 0.80 POLB (0.49) POLBKDM4E
SCHEMBL2460901 0.79 POLB (0.43) POLBKDM4E
SCHEMBL7501452 0.79 POLB (0.45) HSD11B1POLBKDM4E
SCHEMBL29587811 0.78 POLB (0.48) POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252930-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-08-28 US disclosed
EP-2041131-B1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-09-28 EP disclosed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 US disclosed
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2011-03-03 US disclosed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 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-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION CHRNA5, CHRNA7, CHRNA2 HSD11B1 1279/4885OPRL1 56/4885OPRM1 72/4885
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION CHRNA5, CHRNA7, CHRNA2 HSD11B1 1287/4885OPRL1 58/4885OPRM1 79/4885

“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.