SCHEMBL2332701

SCHEMBL2332701

Nc1c(Br)cc(C(=O)NCC2CCN(CC3CCOCC3)CC2)c2c1CCCO2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.51
ACHE P22303 2/20 0.51
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
Hydrochloric Acid SCHEMBL5631883 0.99 HTR4 (0.50) HTR4ACHECYP3A4CYP2D6
Succinic Acid SCHEMBL5632076 0.96 HTR4 (0.47) HTR4ACHECYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5332277 0.94 HTR4 (0.47) HTR4ACHE
SCHEMBL5630511 0.90 HTR4 (0.45) HTR4ACHECYP3A4CYP2D6
SCHEMBL8230449 0.89 HTR4 (0.49) HTR4ACHECYP3A4CYP2D6
SCHEMBL17978168 0.88 HTR4 (0.46) HTR4ACHECYP3A4CYP2D6
SCHEMBL14382457 0.86 HTR4 (0.44) HTR4ACHE
SCHEMBL17978225 0.85 HTR4 (0.44) HTR4ACHE
SCHEMBL2331750 0.84 HTR4 (0.53) HTR4ACHE
SCHEMBL2333431 0.84 HTR4 (0.53) HTR4ACHE

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 14 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
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US 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
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
WO-2007096352-A1 5-AMINO-6-BROMO-N-{ [1- (TETRAHYDR0-2H-PYRAN-4-YLMETHYL) -4-PIPERIDINYL] METHYL}-3, 4 -DIHYDRO-2H-CHROMENE-8-CARBOXAMIDE AS 5-HT4 RECEPTOR AGONIST GLAXO GROUP LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096352-A1 5-AMINO-6-BROMO-N-{ [1- (TETRAHYDR0-2H-PYRAN-4-YLMETHYL) -4-PIPERIDINYL] METHYL}-3, 4 -DIHYDRO-2H-CHROMENE-8-CARBOXAMIDE AS 5-HT4 RECEPTOR AGONIST GLAXO GROUP LIMITED (GB) 2007-08-30 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 (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-20070232657-A1 NOVEL COMPOUNDS HTR4, HTR5A, HTR6 HTR4 1/4885ACHE 306/4885CYP3A4 295/4885
US-20120322826-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA HTR4, HTR5A, HTR1A HTR4 1/4885ACHE 288/4885CYP3A4 688/4885

“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.