Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6352719 | 0.94 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6ALDH1A1CLK4 | |
| SCHEMBL6357589 | 0.89 | CHEK1 (0.53) | CYP11B2CHEK1 | |
| SCHEMBL6354314 | 0.86 | MELK (0.52) | CYP11B2CHEK1 | |
| SCHEMBL5655570 | 0.84 | CHRNB2 (0.61) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL3453906 | 0.83 | CHEK1 (0.58) | CYP11B2CHEK1 | |
| SCHEMBL6358630 | 0.82 | HRH4 (0.52) | ALDH1A1LMNACHRNB2CHRNA4 | |
| SCHEMBL6352765 | 0.81 | CHRNB2 (0.61) | CYP1A2CYP3A4CYP2D6ALDH1A1CLK4 | |
| SCHEMBL6350619 | 0.81 | HTR1A (0.45) | HTR6CYP11B2 | |
| SCHEMBL6353048 | 0.80 | HRH4 (0.52) | HTR6CYP11B2CHEK1 | |
| SCHEMBL6350323 | 0.80 | MELK (0.57) | CYP1A2RPS6KA3CYP11B2CHEK1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6825189-B1 | TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION | NEUROSEARCH A/S (DK) | 2004-11-30 | — | — | US | claimed |
| EP-1027336-B1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH AS (DK) | 2004-10-06 | — | — | EP | claimed |
| US-20040072823-A1 | Heteroaryl diazacycloalkanes, their preparation and use; | NEUROSEARCH A/S | 2004-04-15 | — | — | US | claimed |
| US-20030032801-A1 | Chemosensitizing agents against chloroquine resistant plasmodium falciparum and methods of making and using thereof | U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND | 2003-02-13 | — | — | US | claimed |
| US-6897219-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2005-05-24 | — | — | US | disclosed |
| US-6825189-B1 | TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION | NEUROSEARCH A/S (DK) | 2004-11-30 | — | — | US | disclosed |
| EP-1027336-B1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH AS (DK) | 2004-10-06 | — | — | EP | disclosed |
| US-6800618-B2 | PHENOTHIAZINE OR IMINODIBENZYL DERIVATIVES AS ANTIMALARIAL AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY | 2004-10-05 | — | — | US | disclosed |
| US-20040072823-A1 | Heteroaryl diazacycloalkanes, their preparation and use; | NEUROSEARCH A/S | 2004-04-15 | — | — | US | disclosed |
| CN-1131211-C | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2003-12-17 | — | — | CN | disclosed |
| US-20030032801-A1 | Chemosensitizing agents against chloroquine resistant plasmodium falciparum and methods of making and using thereof | U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND | 2003-02-13 | — | — | US | disclosed |
| CN-1277604-A | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2000-12-20 | — | — | CN | disclosed |
| EP-1027336-A1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH A/S (DK) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999021834-A1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH A/S (DK) | 1999-05-06 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030032801-A1 | Chemosensitizing agents against chloroquine resistant plasmodium falciparum and methods of making and using thereof | ABCC1, SLC11A2, G6PD | CYP1A2 374/4885CYP3A4 350/4885CYP2D6 31/4885 |
| US-20040072823-A1 | Heteroaryl diazacycloalkanes, their preparation and use; | OGFR, CBR3, OGFRL1 | CYP1A2 162/4885CYP3A4 346/4885CYP2D6 95/4885 |
“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.