SCHEMBL2331750

SCHEMBL2331750

Nc1c(Cl)cc(C(=O)NCC2CCN(C[C@@H]3CCOC3)CC2)c2c1CCCO2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.53
HTR3A P46098 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2C P18825 1/20 0.47
ACHE P22303 1/20 0.47
PTGS1 P23219 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL2331760 1.00 HTR4 (0.53) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL2333431 1.00 HTR4 (0.53) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL5316450 0.99 HTR4 (0.53) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL5332277 0.89 HTR4 (0.47) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5364948 0.88 HTR4 (0.48) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL5364954 0.88 HTR4 (0.48) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL17978222 0.88 HTR4 (0.50) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL18019924 0.88 HTR4 (0.50) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL17978212 0.88 HTR4 (0.50) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL2329530 0.88 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322826-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RQUALIA PHAMRA INC. (JP) 2012-12-20 US claimed
EP-2533780-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RaQualia Pharma Inc (JP) 2012-12-19 EP claimed
WO-2011099305-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RAQUALIA PHARMA INC. (JP) 2011-08-18 WO claimed
EP-2533780-B1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA ASKAT INC (JP) 2017-08-23 EP disclosed
US-8980922-B2 5-HT4 receptor agonists for the treatment of dementia RAQUALIA PHARMA INC. (JP) 2015-03-17 US disclosed
US-20120322826-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RQUALIA PHAMRA INC. (JP) 2012-12-20 US disclosed
EP-2533780-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RaQualia Pharma Inc (JP) 2012-12-19 EP disclosed
WO-2011099305-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RAQUALIA PHARMA INC. (JP) 2011-08-18 WO disclosed
WO-2007068739-A1 4-AMINO-BENZAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL, NEUROLOGICAL AND CARDIOVASCULAR DISORDERS GLAXO GROUP LIMITED (GB) 2007-06-21 WO 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 (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-20120322826-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA HTR4, HTR5A, HTR1A HTR4 1/4885HTR3A 14/4885HTR3E 13/4885

“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.