Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | ARG1 | P05089 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7546206 | 1.00 | CCR5 (0.49) | CCR5KCNH2ARG1 | |
| SCHEMBL5456417 | 0.90 | CCR5 (0.48) | CCR5KCNH2ARG1 | |
| Hydrochloric Acid SCHEMBL5765781 | 0.89 | GABRA1 (0.48) | CCR5KCNH2ARG1 | |
| Hydrochloric Acid SCHEMBL5764233 | 0.89 | GABRA1 (0.48) | CCR5KCNH2ARG1 | |
| SCHEMBL5763925 | 0.83 | CCR5 (0.47) | CCR5KCNH2 | |
| SCHEMBL5765780 | 0.82 | CCR5 (0.47) | CCR5KCNH2 | |
| SCHEMBL5763121 | 0.82 | SLC6A2 (0.50) | CCR5 | |
| SCHEMBL5762825 | 0.81 | GABRA1 (0.43) | CCR5KCNH2 | |
| Hydrochloric Acid SCHEMBL7661969 | 0.81 | CCR5 (0.46) | CCR5KCNH2 | |
| Hydrochloric Acid SCHEMBL5762232 | 0.81 | CCR5 (0.46) | CCR5KCNH2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192133-B1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2006-11-02 | — | — | EP | disclosed |
| 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 |
| EP-1192133-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-04-03 | — | — | EP | 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 |
| WO-2000076972-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |
| WO-2000076514-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | 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-20020094989-A1 | Pyrrolidine modulators of CCR5 chemokine receptor activity | CCR5, CCR1, CXCR1 | CCR5 1/4885KCNH2 3940/4885ARG1 43/4885 |
| US-20020120146-A1 | N-cyclopentyl modulators of chemokine receptor activity | CCR1, CCR3, CCR5 | CCR5 3/4885KCNH2 3461/4885ARG1 425/4885 |
“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.