Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.38 |
| ▸ | GPR52 | Q9Y2T5 | 3/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 2/20 | 0.35 |
| ▸ | PLAT | P00750 | 2/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | TNKS | O95271 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5765101 | 0.88 | HTR6 (0.50) | HTR6GPR52CDK9CCNT1GABRA1 | |
| SCHEMBL5763769 | 0.87 | PLAT (0.41) | HTR6PLATMKNK1MKNK2GABRA1 | |
| SCHEMBL5764687 | 0.86 | CCR5 (0.38) | HTR6NOS2CDK9PLATCCNT1 | |
| SCHEMBL5762289 | 0.84 | HTR6 (0.38) | HTR6GPR52PLATGABRA1GABRG2 | |
| SCHEMBL5762754 | 0.84 | HTR6 (0.47) | HTR6CDK9CCNT1GABRA1GABRG2 | |
| SCHEMBL5762609 | 0.81 | GABRA1 (0.50) | PLATGABRA1GABRG2GABRB3MEN1 | |
| SCHEMBL5764662 | 0.81 | HTR2C (0.39) | HTR6PLATGABRA1GABRG2GABRB3 | |
| SCHEMBL5766631 | 0.80 | HTR6 (0.50) | HTR6CDK9MKNK1MKNK2CCNT1 | |
| SCHEMBL5766073 | 0.80 | HTR6 (0.40) | HTR6PLATGABRA1GABRG2GABRB3 | |
| Hydrochloric Acid SCHEMBL5765809 | 0.80 | GABRA1 (0.49) | PLATGABRA1GABRG2GABRB3MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 (1 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-20020120146-A1 | N-cyclopentyl modulators of chemokine receptor activity | CCR1, CCR3, CCR5 | HTR6 1057/4885GPR52 217/4885NOS2 2566/4885 |
“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.