SCHEMBL6041881

SCHEMBL6041881

COc1c(COC2CN(C(=O)O)CCC2c2ccc(OCCCS(=O)(=O)c3nc4ccccc4s3)cc2)ccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
REN P00797 6/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
LTA4H P09960 1/20 0.32
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7077557 0.88 REN (0.33) MAPTRENADAM17
SCHEMBL6043645 0.85 REN (0.51) REN
SCHEMBL6041261 0.83 REN (0.41) RENNPC1ALDH1A1HPGDRAB9A
SCHEMBL6041322 0.80 REN (0.40) RENNPC1HPGDRAB9A
SCHEMBL6043107 0.78 REN (0.36) RENLMNAMEN1ALDH1A1HPGD
SCHEMBL6043099 0.78 REN (0.36) RENLMNAMEN1ALDH1A1HPGD
SCHEMBL6042749 0.77 MEN1 (0.42) RENMEN1NPC1HPGDRAB9A
SCHEMBL6042754 0.77 MEN1 (0.42) RENMEN1NPC1HPGDRAB9A
SCHEMBL6042210 0.77 HPGD (0.38) MAPTRENLMNAKDM4EMEN1
SCHEMBL6042744 0.77 HPGD (0.37) RENLMNAMEN1ALDH1A1HPGD

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 MAPT 43/4885REN 1485/4885UBE2M 3206/4885

“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.