SCHEMBL6043347

SCHEMBL6043347

O=C(O)c1ccc(C2C(O)CN(Cc3ccccc3)CC2CO)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.60
FUCA1 P04066 2/20 0.50
LTA4H P09960 1/20 0.46
KDM1A O60341 1/20 0.45
S1PR5 Q9H228 2/20 0.43
PYGL P06737 1/20 0.43
GRIN2B Q13224 1/20 0.43
RORC P51449 1/20 0.42
S1PR1 P21453 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
SCHEMBL5329691 0.86 GBA1 (0.64) GBA1FUCA1PYGLGRIN2BRORC
SCHEMBL6953561 0.86 GBA1 (0.64) GBA1FUCA1PYGLGRIN2BRORC
Bromide SCHEMBL1943491 0.85 GBA1 (0.63) GBA1FUCA1PYGLGRIN2BRORC
Bromide SCHEMBL4532368 0.85 GBA1 (0.63) GBA1FUCA1PYGLGRIN2BRORC
Bromide SCHEMBL2683848 0.85 GBA1 (0.63) GBA1FUCA1PYGLGRIN2BRORC
SCHEMBL6042917 0.85 GBA1 (0.63) GBA1FUCA1PYGLRORC
SCHEMBL4528469 0.78 GBA1 (0.82) GBA1FUCA1PYGL
SCHEMBL500739 0.78 GBA1 (0.82) GBA1FUCA1PYGL
SCHEMBL500738 0.78 GBA1 (0.82) GBA1FUCA1PYGL
SCHEMBL6042716 0.76 KDM1A (0.56) FUCA1LTA4HKDM1AS1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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 (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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 GBA1 158/4885FUCA1 605/4885LTA4H 1225/4885

“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.