SCHEMBL6042720

SCHEMBL6042720

O=C(O)N1C2CCC1C(OCc1cc(OCc3ccccc3)c3ccccc3c1)C(c1ccc(F)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.42
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
PTGER1 P34995 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PAX8 Q06710 3/20 0.36
SLC6A3 Q01959 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL7082332 0.85 SLC6A4 (0.39) SLC6A4KDM2BPTGER1L3MBTL1PAX8
SCHEMBL6043673 0.79 REN (0.47) SLC6A4SLC6A3
SCHEMBL6044005 0.78 KDM2B (0.40) KDM2BPTGER1LMNAMAPTL3MBTL1
SCHEMBL6043213 0.78 REN (0.52)
SCHEMBL6041889 0.77 SLC6A3 (0.38) SLC6A4SLC6A3
SCHEMBL6041381 0.76 REN (0.42) SLC6A4SLC6A3
SCHEMBL6043586 0.76 SLC6A4 (0.44) SLC6A4SLC6A3
SCHEMBL6041329 0.75 REN (0.55)
SCHEMBL6041973 0.74 REN (0.41) SLC6A4SLC6A3
SCHEMBL6042212 0.73 MGLL (0.39) KDM2BPTGER1LMNAMAPT

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 SLC6A4 3264/4885HCRTR1 144/4885HCRTR2 166/4885

“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.