SCHEMBL6041480

SCHEMBL6041480

O=C(O)N1CCC(c2ccc(OCCCSCc3ccccc3)cc2)C(O)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
KDM1A O60341 4/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
LTA4H P09960 3/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPY1R P25929 1/20 0.37
TP53 P04637 1/20 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
SCHEMBL6042939 0.87 ALDH1A1 (0.40) S1PR1KDM4EALDH1A1LMNAKDM1A
SCHEMBL6042975 0.86 S1PR1 (0.53) S1PR1KDM4EALDH1A1LMNAKDM1A
SCHEMBL6959905 0.86 S1PR1 (0.39) S1PR1KDM4EALDH1A1LMNAKDM1A
SCHEMBL3193386 0.86 RAB9A (0.45) S1PR1KDM4EALDH1A1LMNAKDM1A
SCHEMBL6041843 0.86 RAB9A (0.45) S1PR1KDM4EALDH1A1LMNAKDM1A
SCHEMBL6041689 0.85 S1PR1 (0.50) S1PR1KDM4EALDH1A1LMNAKDM1A
SCHEMBL6043844 0.85 MEN1 (0.45) S1PR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL6041364 0.85 KDM4E (0.46) S1PR1KDM4EALDH1A1LMNAKDM1A
SCHEMBL3069231 0.84 NPC1 (0.52) KDM4EALDH1A1LMNAKDM1AMAOA
SCHEMBL6042634 0.82 KDM1A (0.46) S1PR1KDM4EALDH1A1KDM1AMAOA

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 S1PR1 1345/4885KDM4E 2501/4885ALDH1A1 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.