SCHEMBL6042497

SCHEMBL6042497

Brc1ccc(CCCOCc2ccccc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
GBA1 P04062 1/20 0.40
GLS O94925 1/20 0.39
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL6042693 0.91 TSHR (0.42) HRH4HRH3TDP1L3MBTL1TSHR
SCHEMBL6043469 0.81 GBA1 (0.46) GBA1GLSALDH1A1
SCHEMBL6042985 0.79 HRH4 (0.46) HRH4HRH3TDP1L3MBTL1TSHR
SCHEMBL30724493 0.78 HRH3 (0.50) HRH4HRH3TDP1L3MBTL1TSHR
SCHEMBL18163282 0.78 HRH3 (0.50) HRH4HRH3TDP1L3MBTL1TSHR
SCHEMBL4763675 0.78 GBA1 (0.42) L3MBTL1GBA1LMNAALDH1A1
SCHEMBL20233717 0.78 TDP1 (0.43) HRH4HRH3TDP1L3MBTL1TSHR
SCHEMBL30438307 0.78 HRH4 (0.42) HRH4HRH3TDP1L3MBTL1TSHR
SCHEMBL4004770 0.78 L3MBTL1 (0.58) HRH4HRH3TDP1L3MBTL1TSHR
SCHEMBL13058462 0.77 KCNH2 (0.48) TDP1GBA1GLSALDH1A1

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-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
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO 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
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 HRH4 785/4885HRH3 404/4885TDP1 1041/4885

“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.