Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL502496 | 1.00 | CYP2C9 (0.59) | CYP2C9TRPA1AKR1C3HDAC3HDAC4 | |
| SCHEMBL122528 | 0.88 | AKR1C3 (0.67) | CYP2C9TRPA1AKR1C3HDAC3HDAC4 | |
| SCHEMBL122529 | 0.88 | AKR1C3 (0.67) | CYP2C9TRPA1AKR1C3HDAC3HDAC4 | |
| SCHEMBL4808963 | 0.83 | AKR1C3 (0.60) | CYP2C9TRPA1AKR1C3HDAC3HDAC4 | |
| SCHEMBL502895 | 0.82 | AKR1C3 (0.53) | CYP2C9AKR1C3HDAC1ALDH1A1HTT | |
| SCHEMBL502894 | 0.82 | AKR1C3 (0.53) | CYP2C9AKR1C3HDAC1ALDH1A1HTT | |
| SCHEMBL22995639 | 0.82 | TRPA1 (0.60) | CYP2C9TRPA1AKR1C3HDAC3HDAC4 | |
| SCHEMBL4605744 | 0.82 | AKR1C3 (0.76) | CYP2C9AKR1C3AKR1C1ALDH1A1HTT | |
| SCHEMBL4605738 | 0.82 | AKR1C3 (0.76) | CYP2C9AKR1C3AKR1C1ALDH1A1HTT | |
| SCHEMBL502721 | 0.81 | AKR1C3 (0.52) | CYP2C9TRPA1AKR1C3AKR1C2AKR1C1 |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8236821-B2 | Substituted N-phenyl-5-phenyl-pyrazolin-3-yl amides as cannabinoid receptor antagonists/inverse agonists useful for treating obesity | JENRIN DISCOVERY, INC. (US) | 2012-08-07 | — | — | US | disclosed |
| US-8236821-B2 | Substituted N-phenyl-5-phenyl-pyrazolin-3-yl amides as cannabinoid receptor antagonists/inverse agonists useful for treating obesity | JENRIN DISCOVERY, INC. (US) | 2012-08-07 | — | — | US | disclosed |
| US-8106085-B2 | Indoline-substituted pyrazoline derivatives, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-01-31 | — | — | US | disclosed |
| US-7994200-B2 | Central nervous system disorders; respiratory system disorders; sexual or reproductive disorders; eating disorders; antidiabetic agents; cardiovascular disorders; anticancer agents | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-08-09 | — | — | US | disclosed |
| US-20110159086-A1 | PHARMACEUTICAL FORMULATION COMPRISING A CB1-RECEPTOR COMPOUND IN A SOLID SOLUTION AND/OR SOLID DISPERSION | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-06-30 | — | — | US | disclosed |
| US-20110159086-A1 | PHARMACEUTICAL FORMULATION COMPRISING A CB1-RECEPTOR COMPOUND IN A SOLID SOLUTION AND/OR SOLID DISPERSION | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-06-30 | — | — | US | disclosed |
| EP-2317983-A1 | PHARMACEUTICAL FORMULATION COMPRISING A CB1-RECEPTOR COMPOUND IN A SOLID SOLUTION AND/OR SOLID DISPERSION | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2011-05-11 | — | — | EP | disclosed |
| EP-2314578-A1 | Cinchonidine salt of (4S,5S)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid, useful as intermediate in the preparation of cannabinoid CB1 neutral antagonists | Esteve Química, S.A. (ES) | 2011-04-27 | — | — | EP | disclosed |
| EP-2282997-A2 | 4-METHYL-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDE USEFUL AS CANNABINOID CB1 NEUTRAL ANTAGONIST | Laboratorios del Dr. Esteve S.A. (ES) | 2011-02-16 | — | — | EP | disclosed |
| US-20110028517-A1 | 4-METHYL-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDE USEFUL AS A CANNABINOID CB1 NEUTRAL ANTAGONIST | LABORATORIOS DEL DR. ESTEVE, S.A. | 2011-02-03 | — | — | US | disclosed |
| EP-1937668-A1 | OCTAHYDROPENTALENE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-02 | — | — | EP | disclosed |
| EP-1917247-A1 | 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | Laboratorios del Dr. Esteve S.A. (ES) | 2008-05-07 | — | — | EP | disclosed |
| US-20070073056-A1 | 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-03-29 | — | — | US | disclosed |
| US-20070073056-A1 | 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-03-29 | — | — | US | disclosed |
| US-20070073056-A1 | 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-03-29 | — | — | US | disclosed |
| WO-2007009722-A1 | OCTAHYDROPENTALENE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-25 | — | — | WO | disclosed |
| WO-2007009689-A1 | 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR.ESTEVE, S.A. (ES) | 2007-01-25 | — | — | WO | disclosed |
| WO-2007009689-A1 | 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR.ESTEVE, S.A. (ES) | 2007-01-25 | — | — | WO | disclosed |
| EP-1743890-A1 | 4,5-Dihydro-1H-pyrazole derivatives, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-17 | — | — | EP | disclosed |
| EP-1743890-A1 | 4,5-Dihydro-1H-pyrazole derivatives, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-17 | — | — | EP | 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 (3 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-20070073056-A1 | 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments | P2RX4, PIR, P2RY4 | CYP2C9 322/4885TRPA1 1054/4885AKR1C3 2642/4885 |
| US-20110028517-A1 | 4-METHYL-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDE USEFUL AS A CANNABINOID CB1 NEUTRAL ANTAGONIST | CNR2, CNR1, GPR18 | CYP2C9 655/4885TRPA1 118/4885AKR1C3 3513/4885 |
| US-20110159086-A1 | PHARMACEUTICAL FORMULATION COMPRISING A CB1-RECEPTOR COMPOUND IN A SOLID SOLUTION AND/OR SOLID DISPERSION | CNR1, CNR2, GPR3 | CYP2C9 246/4885TRPA1 241/4885AKR1C3 1861/4885 |
“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.