SCHEMBL6042650

SCHEMBL6042650

O=C(O)N1CCC(c2ccc(OCc3ccccc3)cc2)C(Oc2ccc3ccccc3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
KDM1A O60341 3/20 0.45
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
GPR183 P32249 1/20 0.43
REN P00797 5/20 0.43
S1PR5 Q9H228 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 1/20 0.42
PRMT5 O14744 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6042021 0.84 REN (0.50) REN
SCHEMBL6043881 0.82 REN (0.65) REN
SCHEMBL6041584 0.82 REN (0.65) REN
SCHEMBL6042114 0.82 REN (0.65) REN
SCHEMBL6041641 0.82 REN (0.46) REN
SCHEMBL6041847 0.82 REN (0.44) MAOBMRGPRX4RENS1PR5TP53
SCHEMBL3074739 0.82 KDM1A (0.46) KDM1AMAOAMAOBS1PR5TP53
SCHEMBL6042529 0.82 REN (0.59) REN
SCHEMBL6041551 0.81 REN (0.63) REN
SCHEMBL6041746 0.81 REN (0.51) REN

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 4 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
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

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 ALOX5 2840/4885KDM1A 1891/4885MAOA 192/4885

“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.