SCHEMBL682811

SCHEMBL682811

Cc1cccn1CC1CCc2c(c3ccccc3n2C)C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.72
KCNH2 Q12809 2/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2D6 P10635 1/20 0.72
HTR3E A5X5Y0 1/20 0.72
SLC22A2 O15244 1/20 0.72
SLC22A1 O15245 1/20 0.72
SLC22A3 O75751 1/20 0.72
HTR3B O95264 1/20 0.72
CHRNB2 P17787 1/20 0.72
CHRNB4 P30926 1/20 0.72
CHRNA3 P32297 1/20 0.72
HTR2B P41595 1/20 0.72
CHRNA4 P43681 1/20 0.72
HTR3A P46098 1/20 0.72
HTR3D Q70Z44 1/20 0.72
SLC47A2 Q86VL8 1/20 0.72
HTR3C Q8WXA8 1/20 0.72
SLC47A1 Q96FL8 1/20 0.72
HDAC1 Q13547 1/20 0.42

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
SCHEMBL13324147 0.92 CYP3A4 (0.62) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL13324143 0.92 CYP3A4 (0.65) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL13324145 0.87 CYP3A4 (0.58) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL2615456 0.87 CYP3A4 (0.56) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL2615454 0.87 CYP3A4 (0.56) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL9596706 0.84 CYP3A4 (0.68) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
(R)-Ondansetron SCHEMBL848379 0.84 CYP3A4 (1.00) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Ondansetron SCHEMBL1560211 0.84 CYP3A4 (1.00) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Ondansetron SCHEMBL29358872 0.84 CYP3A4 (1.00) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Ondansetron SCHEMBL4542 0.84 CYP3A4 (1.00) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170105970-A1 ONDANSETRON SUBLINGUAL SPRAY FORMULATION BENUVIA OPERATIONS, LLC 2017-04-20 US disclosed
US-20170042861-A1 Sublingual Ondansetron Spray BENUVIA OPERATIONS, LLC 2017-02-16 US disclosed
US-9566233-B2 Ondansetron sublingual spray formulation INSYS DEVELOPMENT COMPANY, INC. (US) 2017-02-14 US disclosed
US-20160361298-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER GLOBAVIR BIOSCIENCES, INC. 2016-12-15 US disclosed
US-20150133517-A1 ONDANSETRON SUBLINGUAL SPRAY FORMULATION BENUVIA OPERATIONS, LLC 2015-05-14 US disclosed
US-20120202866-A1 BUCCAL, POLAR AND NON-POLAR SPRAY CONTAINING ONDANSETRON SUDA LTD. (AU) 2012-08-09 US disclosed
US-20110160264-A1 ORALLY ADMINISTRABLE FILM DOSAGE FORMS CONTAINING ONDANSETRON MONOSOL RX, LLC (US) 2011-06-30 US disclosed
US-20110065628-A1 Medication Combinations for the Treatment of Alcoholism and Drug Addiction UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-03-17 US disclosed
US-20100152262-A1 BUCCAL, POLAR AND NON-POLAR SPRAY CONTAINING ONDANSETRON DUGGER III HARRY A 2010-06-17 US disclosed
US-20100076006-A1 Topiramate Plus Naltrexone for the Treatment of Addictive Disorders UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-03-25 US disclosed
US-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2009-08-06 US disclosed
US-20090162297-A1 BUCCAL, POLAR AND NON-POLAR SPRAY CONTAINING ONDANSETRON DUGGER III HARRY A 2009-06-25 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 (11 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-20170042861-A1 Sublingual Ondansetron Spray SLC6A4, SLC6A2, SLC6A3 CYP3A4 107/4885KCNH2 1828/4885CYP1A2 313/4885
US-20170105970-A1 ONDANSETRON SUBLINGUAL SPRAY FORMULATION SLC6A4, SLC6A5, SLC6A3 CYP3A4 68/4885KCNH2 1277/4885CYP1A2 328/4885
US-20090197823-A1 ALISKIREN MODULATION OF NEUROGENESIS DCX, NGF, BDNF CYP3A4 4879/4885KCNH2 3344/4885CYP1A2 4843/4885
US-20110065628-A1 Medication Combinations for the Treatment of Alcoholism and Drug Addiction SLC6A3, SLC6A4, ADH5 CYP3A4 85/4885KCNH2 945/4885CYP1A2 148/4885
US-20090162297-A1 BUCCAL, POLAR AND NON-POLAR SPRAY CONTAINING ONDANSETRON TAS2R5, TAS2R4, MC2R CYP3A4 58/4885KCNH2 701/4885CYP1A2 489/4885
US-20100076006-A1 Topiramate Plus Naltrexone for the Treatment of Addictive Disorders SLC6A3, SLC6A4, SLC6A2 CYP3A4 619/4885KCNH2 2086/4885CYP1A2 468/4885
US-20120202866-A1 BUCCAL, POLAR AND NON-POLAR SPRAY CONTAINING ONDANSETRON TAS2R5, TAS2R4, MC2R CYP3A4 58/4885KCNH2 701/4885CYP1A2 489/4885
US-20100152262-A1 BUCCAL, POLAR AND NON-POLAR SPRAY CONTAINING ONDANSETRON TAS2R5, TAS2R4, MC2R CYP3A4 58/4885KCNH2 701/4885CYP1A2 489/4885
US-20110160264-A1 ORALLY ADMINISTRABLE FILM DOSAGE FORMS CONTAINING ONDANSETRON CYP3A5, CYP3A7, SLC6A4 CYP3A4 11/4885KCNH2 1236/4885CYP1A2 45/4885
US-20150133517-A1 ONDANSETRON SUBLINGUAL SPRAY FORMULATION SLC6A4, SLC6A5, SLC6A3 CYP3A4 68/4885KCNH2 1277/4885CYP1A2 328/4885
US-20160361298-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER IDO2, IDO1, TDO2 CYP3A4 3365/4885KCNH2 4769/4885CYP1A2 2188/4885

“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.