SCHEMBL6041822

SCHEMBL6041822

CSc1ccc(COC2CN(C(=O)O)CCC2c2ccc(OCCOCCc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.49
KDM1A O60341 3/20 0.40
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
KCNH2 Q12809 1/20 0.36
YAP1 P46937 1/20 0.36

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
SCHEMBL6041927 0.87 REN (0.66) REN
SCHEMBL7080733 0.85 REN (0.45) RENKDM1AMAOAMAOBKDM4E
SCHEMBL6043886 0.83 REN (0.39) RENKDM1AMAOAMAOB
SCHEMBL6042644 0.82 REN (0.53) RENKDM4EALDH1A1LMNA
SCHEMBL6042876 0.82 GPR119 (0.38) RENKDM4EALDH1A1LMNAKCNH2
SCHEMBL6043843 0.82 SLC6A2 (0.39) KDM1AMAOAMAOBKDM4E
SCHEMBL6041640 0.82 PPARG (0.39) RENKDM1AMAOAMAOBLMNA
SCHEMBL6041647 0.82 PPARG (0.39) RENKDM1AMAOAMAOBLMNA
SCHEMBL6042114 0.81 REN (0.65) REN
SCHEMBL6041312 0.81 REN (0.51) RENKDM4EALDH1A1LMNA

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 REN 1485/4885KDM1A 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.