Granisetron

Granisetron

SCHEMBL13660190

CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR3A

The experimentally established mechanism targets of Granisetron. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A known ✓ P46098 12/20 1.00
HTR3E A5X5Y0 1/20 1.00
SLC22A2 O15244 1/20 1.00
HTR3B O95264 1/20 1.00
CHRNB2 P17787 1/20 1.00
CHRNA3 P32297 1/20 1.00
CHRNA4 P43681 1/20 1.00
KCNH2 Q12809 1/20 1.00
HTR3D Q70Z44 1/20 1.00
HTR3C Q8WXA8 1/20 1.00
SLC47A1 Q96FL8 1/20 1.00
ALDH1A1 P00352 1/20 0.91
CYP3A4 P08684 1/20 0.91
TSHR P16473 1/20 0.91
MAPK1 P28482 1/20 0.91
HSD17B10 Q99714 1/20 0.91
KDM4E B2RXH2 1/20 0.80

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
Granisetron SCHEMBL4891 1.00 HTR3A (1.00) HTR3AHTR3ESLC22A2HTR3BCHRNB2
Granisetron SCHEMBL29372622 1.00 HTR3A (1.00) HTR3AHTR3ESLC22A2HTR3BCHRNB2
Granisetron SCHEMBL30372601 1.00 HTR3A (1.00) HTR3AHTR3ESLC22A2HTR3BCHRNB2
Granisetron SCHEMBL4109977 1.00 HTR3A (1.00) HTR3AHTR3ESLC22A2HTR3BCHRNB2
Granisetron SCHEMBL13287290 1.00 HTR3A (1.00) HTR3AHTR3ESLC22A2HTR3BCHRNB2
Granisetron SCHEMBL16642163 1.00 HTR3A (1.00) HTR3AHTR3ESLC22A2HTR3BCHRNB2
Granisetron SCHEMBL445223 1.00 HTR3A (1.00) HTR3AHTR3ESLC22A2HTR3BCHRNB2
Granisetron SCHEMBL34178 1.00 HTR3A (1.00) HTR3AHTR3ESLC22A2HTR3BCHRNB2
Granisetron SCHEMBL4890 1.00 HTR3A (1.00) HTR3AHTR3ESLC22A2HTR3BCHRNB2
Granisetron SCHEMBL33433 0.99 HTR3A (0.98) HTR3AHTR3ESLC22A2HTR3BCHRNB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394813-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2013-03-12 US disclosed
US-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-10-08 US disclosed
US-7427600-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2008-09-23 US disclosed
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage NEW RIVER PHARMACEUTICALS INC. (US) 2007-10-04 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP HTR3A 3947/4885HTR3E 3235/4885SLC22A2 776/4885
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage VIP, BST2, FCGR3B HTR3A 863/4885HTR3E 1132/4885SLC22A2 682/4885

“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.