SCHEMBL5114319

SCHEMBL5114319

O=C(O)C1(CN2CCC(COc3noc4cccc(OCC(F)(F)F)c34)CC2)CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 12/20 0.66
CYP3A4 P08684 1/20 0.50
ACHE P22303 1/20 0.40
DCPS Q96C86 1/20 0.36
ARG1 P05089 2/20 0.34
HCRTR2 O43614 1/20 0.33
KCNH2 Q12809 2/20 0.33
TTR P02766 1/20 0.33
CNR2 P34972 1/20 0.32

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
Bromide SCHEMBL17275534 0.99 HTR4 (0.65) HTR4CYP3A4ACHEDCPSARG1
SCHEMBL17275529 0.99 HTR4 (0.65) HTR4CYP3A4ACHEDCPSARG1
Hydrochloric Acid SCHEMBL17275530 0.99 HTR4 (0.65) HTR4CYP3A4ACHEDCPSARG1
SCHEMBL17275535 0.99 HTR4 (0.65) HTR4CYP3A4ACHEDCPSARG1
SCHEMBL17275540 0.99 HTR4 (0.65) HTR4CYP3A4ACHEDCPSARG1
Phosphoric Acid SCHEMBL17275537 0.98 HTR4 (0.64) HTR4CYP3A4ACHEDCPSARG1
Sulfuric Acid SCHEMBL17275528 0.97 HTR4 (0.63) HTR4CYP3A4ACHEDCPSARG1
SCHEMBL21081788 0.95 HTR4 (0.60) HTR4CYP3A4ACHEDCPSARG1
Diethylamine SCHEMBL17275532 0.95 HTR4 (0.62) HTR4CYP3A4ACHEDCPSARG1
SCHEMBL17275542 0.94 HTR4 (0.60) HTR4CYP3A4ACHEDCPSARG1

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114344300-A 5-HT4 receptor agonists for gastroparesis 拉夸里亚创药株式会社 2022-04-15 CN claimed
CN-108658964-B Polymorphic substance 拉夸里亚创药株式会社 2021-07-02 CN claimed
CN-107074837-B Benzisoxazole derivative salts 拉夸里亚创药株式会社 2020-07-28 CN claimed
EP-3142666-B1 5-HT4 RECEPTOR AGONIST FOR GASTROPARESIS RAQUALIA PHARMA INC (JP) 2020-06-03 EP claimed
EP-3145926-B1 BENZISOXAZOLE DERIVATIVE SALT RAQUALIA PHARMA INC (JP) 2019-07-03 EP claimed
US-10179779-B2 Polymorph forms RAQUALIA PHARMA INC. (JP) 2019-01-15 US claimed
US-10137113-B2 5-HT4 receptor agonist as a prokinetic agent RAQUALIA PHARMA INC. (JP) 2018-11-27 US claimed
US-9988370-B2 Benzisoxazole derivative salt RAQUALIA PHARMA INC. (JP) 2018-06-05 US claimed
US-9833447-B2 5-HT4 receptor agonist for gastroparesis RAQUALIA PHARMA INC. (JP) 2017-12-05 US claimed
EP-2922849-B1 POLYMORPHS OF 4-{[4-({[4-(2,2,2-TRIFLUOROETHOXY)-1,2-BENZISOXAZOL-3-YL]OXY}METHYL)PIPERIDIN-1-YL]METHYL}-TETRAHYDRO-2H-PYRAN-4-CARBOXYLIC ACID AS 5-HYDROXYTRYPTAMINE-4 (5-HT4) RECEPTOR AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES RAQUALIA PHARMA INC (JP) 2017-07-12 EP claimed
US-20140187583-A1 Polymorph Form of 4-methyl)piperidin-1-yl]methyl}-tetrahydro-2H-pyran-4-carboxylic acid RAQUALIA PHARMA INC. (JP) 2014-07-03 US claimed
WO-2014080633-A1 POLYMORPH FORMS RAQUALIA PHARMA INC. (JP) 2014-05-30 WO claimed
EP-2710002-A1 POLYMORPH FORM OF 4-{[4-({[4-(2,2,2-TRIFLUOROETHOXY)-1,2-BENZISOXAZOL-3-YL]OXY}METHYL)PIPERIDIN-1-YL]METHYL}-TETRAHYDRO-2H-PYRAN-4-CARBOXYLIC ACID RaQualia Pharma Inc (JP) 2014-03-26 EP claimed
US-20140051726-A1 5-HT4 Receptor Agonist as a Prokinetic Agent RAQUALIA PHARMA INC. (JP) 2014-02-20 US claimed
EP-2688648-A1 A 5-HT4 RECEPTOR AGONIST AS A PROKINETIC AGENT RaQualia Pharma Inc (JP) 2014-01-29 EP claimed
WO-2012157288-A1 POLYMORPH FORM OF 4-{[4-({[4-(2,2,2-TRIFLUOROETHOXY)-1,2-BENZISOXAZOL-3-YL]OXY}METHYL)PIPERIDIN-1-YL]METHYL}-TETRAHYDRO-2H-PYRAN-4-CARBOXYLIC ACID RAQUALIA PHARMA INC. (JP) 2012-11-22 WO claimed
WO-2012127878-A1 A 5-HT4 RECEPTOR AGONIST AS A PROKINETIC AGENT RAQUALIA PHARMA INC. (JP) 2012-09-27 WO claimed
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US claimed
EP-1856114-A1 BENZISOXAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-11-21 EP claimed
WO-2006090224-A1 BENZISOXAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-08-31 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080207690-A1 Benzisoxazole Derivatives BRS3, MRGPRX4, HTR4 HTR4 3/4885CYP3A4 142/4885ACHE 170/4885

“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.