Lobeline

Lobeline

SCHEMBL8305826

CN1C(CC(=O)c2ccccc2)CCCC1C[C@@H](O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 1.00
CYP1A2 P05177 3/20 1.00
TSHR P16473 1/20 1.00
NFKB1 P19838 1/20 1.00
LMNA P02545 1/20 1.00
CHRNB2 P17787 1/20 1.00
HTR2A P28223 1/20 1.00
HRH1 P35367 1/20 1.00
CHRNA7 P36544 1/20 1.00
CHRNA4 P43681 1/20 1.00
SLC18A2 Q05940 1/20 1.00
HIF1A Q16665 1/20 0.74
KCNH2 Q12809 1/20 0.64

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
Lobeline SCHEMBL290804 1.00 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL290803 1.00 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL14029403 1.00 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL13900378 1.00 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL2905547 1.00 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL3308906 1.00 CYP2D6 (1.00) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL467021 0.99 CYP2D6 (0.97) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL8994428 0.99 CYP2D6 (0.97) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL4264391 0.99 CYP2D6 (0.97) CYP2D6CYP1A2TSHRNFKB1LMNA
Lobeline SCHEMBL467022 0.99 CYP2D6 (0.97) CYP2D6CYP1A2TSHRNFKB1LMNA

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 9 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
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
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-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-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
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
WO-2004103286-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CHOLIMERGIC AGENT PHARMACIA CORPORATION (US) 2004-12-02 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 (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 CYP2D6 819/4885CYP1A2 664/4885TSHR 129/4885
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION CHRNA5, CHRNA7, CHRNA2 CYP2D6 783/4885CYP1A2 609/4885TSHR 135/4885

“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.