SCHEMBL6041579

SCHEMBL6041579

O=C(O)N1CCC(c2ccc(OC/C=C/COc3ccccc3)cc2)C(O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TEAD1 P28347 1/20 0.40
TEAD3 Q99594 1/20 0.40
SLC18A3 Q16572 1/20 0.39
NPC1 O15118 2/20 0.38
AOC3 Q16853 1/20 0.38
KDM1A O60341 2/20 0.37

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
SCHEMBL6041582 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6043319 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6042226 0.91 PPARA (0.41) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6042220 0.91 PPARA (0.41) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6043844 0.89 MEN1 (0.45) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6041843 0.88 RAB9A (0.45) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3193386 0.88 RAB9A (0.45) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6041719 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6042191 0.86 KMT2A (0.42) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3069231 0.86 NPC1 (0.52) ALDH1A1RAB9ASMN1; SMN2MAPTHTT

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 MEN1 2561/4885KMT2A 2702/4885ALDH1A1 2504/4885

“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.