SCHEMBL6041684

SCHEMBL6041684

COc1ccc2ccc(COC3CN(C(=O)O)CCC3c3ccc(F)cc3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.44
KDM2B Q8NHM5 3/20 0.40
KDM1A O60341 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.39
CCR3 P51677 2/20 0.39
MC4R P32245 1/20 0.39
KCNH2 Q12809 1/20 0.39
NQO2 P16083 1/20 0.38
PTGER2 P43116 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
LTB4R Q15722 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PTGS1 P23219 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL6042266 0.98 REN (0.44) RENKDM2BKDM1AALDH1A1LMNA
SCHEMBL6041939 0.90 REN (0.44) REN
SCHEMBL6043496 0.90 REN (0.50) REN
SCHEMBL6042033 0.90 REN (0.45) RENKDM1AALDH1A1LMNASMN1; SMN2
SCHEMBL6041641 0.89 REN (0.46) REN
SCHEMBL6041350 0.89 REN (0.51) RENALDH1A1LMNA
SCHEMBL6041771 0.89 REN (0.41) REN
SCHEMBL6041769 0.88 REN (0.42) REN
SCHEMBL6042021 0.85 REN (0.50) REN
SCHEMBL6042564 0.85 REN (0.39) RENKDM1AALDH1A1SMN1; SMN2

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 1485/4885KDM2B 2244/4885KDM1A 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.