Cilansetron

Cilansetron

SCHEMBL678512

Cc1nccn1CC1CCc2c(c3cccc4c3n2CCC4)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR3AHTR3B

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)

geneUniProtsupporting neighboursconfidence
HTR3B known ✓ O95264 1/20 0.61
HTR3A known ✓ P46098 1/20 0.61
CYP3A4 P08684 2/20 0.61
KCNH2 Q12809 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 1/20 0.61
HTR3E A5X5Y0 1/20 0.61
SLC22A2 O15244 1/20 0.61
SLC22A1 O15245 1/20 0.61
SLC22A3 O75751 1/20 0.61
CHRNB2 P17787 1/20 0.61
CHRNB4 P30926 1/20 0.61
CHRNA3 P32297 1/20 0.61
HTR2B P41595 1/20 0.61
CHRNA4 P43681 1/20 0.61
HTR3D Q70Z44 1/20 0.61
SLC47A2 Q86VL8 1/20 0.61
HTR3C Q8WXA8 1/20 0.61
SLC47A1 Q96FL8 1/20 0.61
HDAC1 Q13547 1/20 0.44

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.

Compoundsimilaritytop predictedshared targets
Cilansetron SCHEMBL29883543 1.00 CYP3A4 (0.61) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Cilansetron SCHEMBL15950 1.00 CYP3A4 (0.61) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Cilansetron SCHEMBL7427797 1.00 CYP3A4 (0.61) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Cilansetron SCHEMBL29019018 0.99 CYP3A4 (0.60) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Cilansetron SCHEMBL29883205 0.99 CYP3A4 (0.60) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Cilansetron SCHEMBL7433386 0.99 CYP3A4 (0.60) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Cilansetron SCHEMBL5764110 0.99 CYP3A4 (0.60) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Cilansetron SCHEMBL3157229 0.99 CYP3A4 (0.60) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Cilansetron SCHEMBL3452925 0.98 CYP3A4 (0.59) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL21043399 0.88 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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230921-A1 Combination treatment for depression Pfizer Products Inc. (US) 2002-08-14 EP claimed
US-20020107244-A1 An antidepressant formulation consists of a biphenoxy or binaphthelenoxy compound as antidepressant, a 5-HT3 receptor antagonist and a carrier PFIZER PRODUCTS INC. 2002-08-08 US claimed
EP-0601345-B1 Medicament containing an imidazol-1-yl compound KALI CHEMIE PHARMA GMBH (DE) 1996-10-02 EP claimed
EP-0601345-A1 Medicament containing an imidazol-1-yl compound Kali-Chemie Pharma GmbH (DE) 1994-06-15 EP claimed
WO-2019180176-A1 COMPOSITION FOR THE TREATMENT OF SCHIZOPHRENIA AND/OR PSYCHOSIS SPHERIUM BIOMED, S.L. (ES) 2019-09-26 WO disclosed
EP-2288345-B1 PSYCHO-PHARMACEUTICALS UNIV DUBLIN (IE) 2015-06-10 EP disclosed
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
EP-2382975-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-11-02 EP disclosed
EP-2377530-A2 Modulation of neurogenesis by PDE inhibition Braincells, Inc. (US) 2011-10-19 EP disclosed
EP-2377531-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-10-19 EP disclosed
US-20020107244-A1 An antidepressant formulation consists of a biphenoxy or binaphthelenoxy compound as antidepressant, a 5-HT3 receptor antagonist and a carrier PFIZER PRODUCTS INC. 2002-08-08 US disclosed
EP-0895782-A2 Pharmaceutical compositions of Cilansetron stabilized against racemisation Solvay Pharmaceuticals GmbH (DE) 1999-02-10 EP disclosed
EP-0601345-B1 Medicament containing an imidazol-1-yl compound KALI CHEMIE PHARMA GMBH (DE) 1996-10-02 EP disclosed
US-5438068-A Treatment of irritable bowel syndrome KALI-CHEMIE PHARMA (DE) 1995-08-01 US disclosed
EP-0601345-A1 Medicament containing an imidazol-1-yl compound Kali-Chemie Pharma GmbH (DE) 1994-06-15 EP disclosed
EP-0297651-B1 Anellated indole derivatives DUPHAR INT RES (NL) 1993-11-03 EP disclosed
US-4939136-A New anellated indole derivatives DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1990-07-03 US disclosed
EP-0297651-A1 Anellated indole derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-01-04 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 HTR3B 323/4885HTR3A 353/4885CYP3A4 4765/4885
US-20020107244-A1 An antidepressant formulation consists of a biphenoxy or binaphthelenoxy compound as antidepressant, a 5-HT3 receptor antagonist and a carrier HTR3A, HTR3E, HTR4 HTR3B 5/4885HTR3A 1/4885CYP3A4 324/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF HTR3B 764/4885HTR3A 1276/4885CYP3A4 4777/4885

“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.