SCHEMBL5318231

SCHEMBL5318231

Nc1c(Br)cc(C(=O)O)c2c1CCCO2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
HTR4 Q13639 8/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL27942442 0.91 SMN1; SMN2 (0.41) SMN1; SMN2HTR4HTR3EHTR3BHTR3A
SCHEMBL21003313 0.84 KDM4E (0.44) SMN1; SMN2HTR4ACHEKDM4E
SCHEMBL14382462 0.83 KDM4E (0.43) SMN1; SMN2HTR4HTR3AACHEKDM4E
SCHEMBL5316552 0.82 HTR4 (0.47) HTR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL5316403 0.80 SMN1; SMN2 (0.44) SMN1; SMN2HTR4PRMT1KDM4EGLA
SCHEMBL14382460 0.79 SMN1; SMN2 (0.42) SMN1; SMN2HTR4KDM4E
SCHEMBL18019921 0.79 HTR4 (0.34) SMN1; SMN2HTR4HTR3EHTR3BHTR3A
SCHEMBL7333211 0.78 HTR4 (0.46) HTR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL9868328 0.77 SMN1; SMN2 (0.45) SMN1; SMN2KDM4E
SCHEMBL6883903 0.76 ACHE (0.36) HTR4ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232657-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-04 US claimed
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
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-20070232657-A1 NOVEL COMPOUNDS HTR4, HTR5A, HTR6 SMN1; SMN2 2023/4885HTR4 1/4885HTR3E 11/4885

“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.