SCHEMBL6041331

SCHEMBL6041331

O=C(O)N1CCC(c2ccc(OCCCOCc3ccsc3)cc2)C(O)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.40
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 3/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
PPARD Q03181 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
REN P00797 2/20 0.35
S1PR5 Q9H228 2/20 0.34
HPGD P15428 2/20 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
SCHEMBL6041364 0.88 KDM4E (0.46) KMT2AKDM1AMAOAMAOBKDM4E
SCHEMBL6955728 0.87 HRH2 (0.36) LTA4HHRH2HRH1MEN1KMT2A
SCHEMBL6043031 0.83 LTA4H (0.39) LTA4HMEN1KMT2AKDM1AMAOA
SCHEMBL3193386 0.83 RAB9A (0.45) MEN1KMT2AKDM1AKDM4EALDH1A1
SCHEMBL3066821 0.81 SMN1; SMN2 (0.47) LTA4HMEN1KMT2AKDM1AMAOB
SCHEMBL6041843 0.81 RAB9A (0.45) MEN1KMT2AKDM1AKDM4EALDH1A1
SCHEMBL7452845 0.80 MEN1 (0.35) LTA4HHRH2HRH1MEN1KMT2A
SCHEMBL6042224 0.80 REN (0.48) REN
SCHEMBL6043844 0.80 MEN1 (0.45) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL6042975 0.79 S1PR1 (0.53) HRH2HRH1KDM1AMAOAMAOB

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 LTA4H 1225/4885HRH2 925/4885HRH1 893/4885

“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.