SCHEMBL6041260

SCHEMBL6041260

O=C(O)N1CCC(c2ccc(OCCCC3(c4ccccc4)OCCO3)cc2)C(O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 7/20 0.36
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 3/20 0.35
S1PR1 P21453 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6952796 0.87 MEN1 (0.35) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL6041843 0.84 RAB9A (0.45) MEN1KMT2AKDM1ATEAD1TEAD3
SCHEMBL3193386 0.84 RAB9A (0.45) MEN1KMT2AKDM1ATEAD1TEAD3
SCHEMBL6043844 0.82 MEN1 (0.45) MEN1KMT2AKDM1ATEAD1TEAD3
SCHEMBL6957251 0.82 MEN1 (0.34) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL6042952 0.82 REN (0.49)
SCHEMBL6043716 0.80 REN (0.42) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6042975 0.80 S1PR1 (0.53) KDM1AMAOAMAOBS1PR1ALDH1A1
SCHEMBL6041689 0.79 S1PR1 (0.50) KDM1AMAOAMAOBRAB9ANPC1
SCHEMBL6042939 0.78 ALDH1A1 (0.40) MEN1KMT2AKDM1ATEAD1TEAD3

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 2702/4885KDM1A 1891/4885

“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.