Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cilansetron. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.59 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.59 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.59 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.59 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.59 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.59 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.59 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.59 |
| ▸ | HTR2B | P41595 | 1/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.59 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.59 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.59 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.59 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| Cilansetron SCHEMBL3157229 | 0.99 | CYP3A4 (0.60) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL7433386 | 0.99 | CYP3A4 (0.60) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL5764110 | 0.99 | CYP3A4 (0.60) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL29883205 | 0.99 | CYP3A4 (0.60) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL7427797 | 0.98 | CYP3A4 (0.61) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL29883543 | 0.98 | CYP3A4 (0.61) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL678512 | 0.98 | CYP3A4 (0.61) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL15950 | 0.98 | CYP3A4 (0.61) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL29019018 | 0.97 | CYP3A4 (0.60) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| SCHEMBL21043399 | 0.86 | CYP3A4 (0.47) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7820690-B2 | Method of treating or inhibiting a non-digestive tract derived abdominal disorder associated with pain using a 5-HT, receptor antagonist | SOLVAY PHARMACEUTICALS GMBH (DE) | 2010-10-26 | — | — | US | claimed |
| EP-1727527-A1 | USE OF A 5-HT3 RECEPTOR ANTAGONIST FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF NON-DIGESTIVE TRACT DERIVED ABDOMINAL DISORDERS ASSOCIATED WITH PAIN | Solvay Pharmaceuticals GmbH (DE) | 2006-12-06 | — | — | EP | claimed |
| WO-2005089732-A1 | USE OF A 5-HT3 RECEPTOR ANTAGONIST FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF NON-DIGESTIVE TRACT DERIVED ABDOMINAL DISORDERS ASSOCIATED WITH PAIN | SOLVAY PHARMACEUTICALS GMBH (DE) | 2005-09-29 | — | — | WO | claimed |
| US-20050209293-A1 | Method of treating or inhibiting a non-digestive tract derived abdominal disorder associated with pain using a 5-HT, receptor antagonist | SOLVAY PHARMACEUTICALS GMBH (DE) | 2005-09-22 | — | — | US | claimed |
| US-20030125349-A1 | Medicament containing cilansetron for the treatment of non-obstipative male irritable bowel syndrome patients | SOLVAY PHARMACEUTICALS GMBH (DE) | 2003-07-03 | — | — | US | claimed |
| US-6566369-B2 | Administering to a non-obstipative patient for the treatment and/or prophylaxis of irritable bowel syndrome, 5HT3-receptor antagonist, such as cilansetron or hydrochloride salt of cilansetron | SOLVAY PHARMACEUTICALS GMBH (DE) | 2003-05-20 | — | — | US | claimed |
| US-20020040033-A1 | Medicament containing cilansetron for the treatment of non-obstipative male irritable bowel syndrome patients | SOLVAY PHARMACEUTICALS GMBH (DE) | 2002-04-04 | — | — | US | claimed |
| US-7820690-B2 | Method of treating or inhibiting a non-digestive tract derived abdominal disorder associated with pain using a 5-HT, receptor antagonist | SOLVAY PHARMACEUTICALS GMBH (DE) | 2010-10-26 | — | — | US | disclosed |
| US-20090176817-A1 | Method of Treatment of Diarrhea-Predominant Irritable Bowel Syndrome in a Subject | CARAS STEVEN DAVID | 2009-07-09 | — | — | US | disclosed |
| EP-1855681-A1 | METHOD OF TREATMENT OF DIARRHEA-PREDOMINANT IRRITABLE BOWEL SYNDROME IN A SUBJECT | Solvay Pharmaceuticals, Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| EP-1855680-A2 | METHOD OF TREATMENT OF DIARRHEA-PREDOMINANT IBS IN A FEMALE SUBJECT RECEIVING CONTRACEPTIVE THERAPY | Solvay Pharmaceuticals, Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| US-20070259906-A1 | Method of treatment of diarrhea-predominant irritable bowel syndrome in a subject | UNIMED PHARMACEUTICALS, LLC | 2007-11-08 | — | — | US | disclosed |
| US-20070093520-A1 | Method of treatment of diarrhea-predominant irritable bowel syndrome in a subject | UNIMED PHARMACEUTICALS, LLC | 2007-04-26 | — | — | US | disclosed |
| US-6566369-B2 | Administering to a non-obstipative patient for the treatment and/or prophylaxis of irritable bowel syndrome, 5HT3-receptor antagonist, such as cilansetron or hydrochloride salt of cilansetron | SOLVAY PHARMACEUTICALS GMBH (DE) | 2003-05-20 | — | — | US | disclosed |
| EP-0768309-B1 | Process for the preparation of enantiomerically pure imidazolyl compounds | DUPHAR INT RES (NL) | 2002-09-25 | — | — | EP | disclosed |
| US-20020040033-A1 | Medicament containing cilansetron for the treatment of non-obstipative male irritable bowel syndrome patients | SOLVAY PHARMACEUTICALS GMBH (DE) | 2002-04-04 | — | — | US | disclosed |
| US-6365743-B1 | RESOLUTION OF R-(-) ENANTIOMERS OF CILANSETRON AND ANALOGUES BY ADDING OPTICALLY ACTIVE PYROGLUTAMIC ACID; SEPARATING THE CRYSTALLIZED AMINE SALT; CONVERTING TO THE HYDROCHLORIDE MONOHYDRATE | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 2002-04-02 | — | — | US | disclosed |
| US-5977127-A | WATER SOLUBLE STABILIZING ACID ADDITIVE WHOSE PKS VALUE FALLS WITHIN A GIVEN RANGE, SUCH AS CITRIC ACID OR ABSORBIC ACID IN SPECIFIC MOLAR RATIO | SOLVAY PHARMACEUTICALS GMBH (DE) | 1999-11-02 | — | — | US | disclosed |
| US-5663343-A | PYROGLUTAMIC ACID SALT FORMATION | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1997-09-02 | — | — | US | disclosed |
| EP-0768309-A1 | Process for the preparation of enantiomerically pure imidazolyl compounds | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1997-04-16 | — | — | EP | disclosed |