SCHEMBL6041868

SCHEMBL6041868

O=C1CC(c2ccc(OCc3ccccc3)cc2)C(C(=O)O)C(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.50
MAOB P27338 2/20 0.48
GPBAR1 Q8TDU6 3/20 0.47
KCNH2 Q12809 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
CREBBP Q92793 1/20 0.46
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.45
S1PR5 Q9H228 1/20 0.45
FFAR1 O14842 1/20 0.45
NPC1 O15118 1/20 0.45
TNKS2 Q9H2K2 1/20 0.44

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
SCHEMBL6959230 0.85 MMP13 (0.47) MMP13MAOBGPBAR1KCNH2LMNA
SCHEMBL6041302 0.81 MMP13 (0.52) MMP13MAOBKCNH2LMNAMAPT
SCHEMBL6041299 0.81 MMP13 (0.52) MMP13MAOBKCNH2LMNAMAPT
SCHEMBL527235 0.75 CYP4F2 (0.58) MMP13MAOBKCNH2LMNAKDM1A
SCHEMBL527236 0.75 CYP4F2 (0.58) MMP13MAOBKCNH2LMNAKDM1A
SCHEMBL18923955 0.75 CYP4F2 (0.58) MMP13MAOBKCNH2LMNAKDM1A
SCHEMBL31728652 0.75 CYP4F2 (0.58) MMP13MAOBKCNH2LMNAKDM1A
SCHEMBL18586607 0.74 LMNA (0.50) MAOBGPBAR1KCNH2LMNAMAPT
SCHEMBL29585251 0.74 LMNA (0.50) MAOBGPBAR1KCNH2LMNAMAPT
SCHEMBL8182443 0.74 CRBN (0.67) MMP13MAOBKCNH2LMNAMAPT

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 MMP13 145/4885MAOB 206/4885GPBAR1 3496/4885

“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.