Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8551405 | 0.85 | CA12 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30513253 | 0.83 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16599987 | 0.83 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2085322 | 0.76 | CCR5 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12458001 | 0.75 | TSHR (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL570471 | 0.74 | CA12 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4159419 | 0.72 | TSHR (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31409354 | 0.72 | TSHR (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11053115 | 0.72 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27006674 | 0.71 | TSHR (0.50) | CA12CA1CA2CA7CA9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7498346-B2 | viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide | GENZYME CORPORATION (US) | 2009-03-03 | — | — | US | disclosed |
| EP-1317443-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2009-01-14 | — | — | EP | disclosed |
| US-20080090846-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | GENZYME CORPORATION | 2008-04-17 | — | — | US | disclosed |
| US-7312234-B2 | Chemokine receptor binding heterocyclic compounds | ANORMED (CA) | 2007-12-25 | — | — | US | disclosed |
| US-20050277668-A1 | viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide | ANORMED INC. | 2005-12-15 | — | — | US | disclosed |
| US-20050026942-A1 | Chemokine receptor binding heterocyclic compounds | ANORMED (CA) | 2005-02-03 | — | — | US | disclosed |
| US-6835731-B2 | Viricides; antiinflammatory agents; antiallergens; antiarthritic agents | ANORMED, INC. (CA) | 2004-12-28 | — | — | US | disclosed |
| US-20020147192-A1 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION | 2002-10-10 | — | — | 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 (4 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-20050277668-A1 | viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide | CCR5, CCR2, CXCR3 | CA12 4642/4885CA1 3777/4885CA2 2967/4885 |
| US-20020147192-A1 | Chemokine receptor binding heterocyclic compounds | CCR2, CXCR3, ACKR3 | CA12 3345/4885CA1 4024/4885CA2 4304/4885 |
| US-20080090846-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | CCR2, CXCR3, ACKR3 | CA12 3345/4885CA1 4024/4885CA2 4304/4885 |
| US-20050026942-A1 | Chemokine receptor binding heterocyclic compounds | CCR2, CXCR3, ACKR3 | CA12 3345/4885CA1 4024/4885CA2 4304/4885 |
“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.