Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | CCR5 | P51681 | 15/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | KHK | P50053 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5764976 | 0.97 | CCR5 (0.48) | HRH1CCR5KCNH2KHKHRH3 | |
| SCHEMBL5764465 | 0.90 | CCR5 (0.46) | CCR5KCNH2 | |
| Hydrochloric Acid SCHEMBL5765862 | 0.89 | CCR5 (0.46) | CCR5KCNH2 | |
| SCHEMBL5761438 | 0.88 | PLAT (0.46) | CCR5 | |
| Hydrochloric Acid SCHEMBL5762995 | 0.87 | PLAT (0.45) | CCR5 | |
| SCHEMBL5765510 | 0.86 | CCR5 (0.47) | CCR5KCNH2 | |
| SCHEMBL5761918 | 0.86 | CCR5 (0.40) | CCR5KCNH2PRCP | |
| SCHEMBL5764335 | 0.85 | CCR5 (0.48) | CCR5KCNH2 | |
| SCHEMBL5763643 | 0.85 | CCR5 (0.48) | CCR5KCNH2 | |
| SCHEMBL5764430 | 0.84 | CCR5 (0.43) | CCR5KCNH2PRCP |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6593346-B2 | Substituted 3-(piperidin-1-ylmethyl)cyclopentylamines, useful as modulators of the chemokine receptors CCR-5 and/or CC R-3. | MERCK & CO. INC. | 2003-07-15 | — | — | US | disclosed |
| US-6538002-B1 | In particular, these compounds are useful as modulators of the chemokine receptors CCR-5 and/or CCR-3. as antiinflammatory agents | MERCK & CO., INC. | 2003-03-25 | — | — | US | disclosed |
| US-20020120146-A1 | N-cyclopentyl modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2002-08-29 | — | — | US | disclosed |
| US-6432981-B1 | BLOCKS HUMAN IMMUNODEFICIENCY VIRUS (HIV) FROM ENTERING CELLS; AUTOIMMUNE DISEASES; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS | MERCK & CO., INC. | 2002-08-13 | — | — | US | disclosed |
| US-20020094989-A1 | Pyrrolidine modulators of CCR5 chemokine receptor activity | HALE JEFFREY J (US) | 2002-07-18 | — | — | US | disclosed |
| US-6358979-B1 | FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS | MERCK & CO., INC. | 2002-03-19 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020094989-A1 | Pyrrolidine modulators of CCR5 chemokine receptor activity | CCR5, CCR1, CXCR1 | HRH1 334/4885CCR5 1/4885KCNH2 3940/4885 |
| US-20020120146-A1 | N-cyclopentyl modulators of chemokine receptor activity | CCR1, CCR3, CCR5 | HRH1 312/4885CCR5 3/4885KCNH2 3461/4885 |
“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.