SCHEMBL6042525

SCHEMBL6042525

COCCOc1c(COC2CN(C(=O)O)CCC2c2ccc(OCc3cc(-c4ccccc4)no3)cc2)ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
REN P00797 2/20 0.37
KDM4E B2RXH2 1/20 0.36
TNF P01375 1/20 0.36
LMNA P02545 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ADAM17 P78536 3/20 0.36
GALR3 O60755 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 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
SCHEMBL6041811 0.94 RAB9A (0.42) RAB9ANPC1TDP1L3MBTL1MAPT
SCHEMBL7080459 0.88 NPC1 (0.36) RAB9ANPC1TDP1L3MBTL1MAPT
SCHEMBL6042111 0.84 REN (0.45) RAB9ANPC1TDP1L3MBTL1MAPT
SCHEMBL6043104 0.84 REN (0.33) RENKDM4E
SCHEMBL6043947 0.84 REN (0.50) RAB9ANPC1TDP1L3MBTL1MAPT
SCHEMBL6042443 0.83 REN (0.35) RAB9ANPC1MAPTRENPOLB
SCHEMBL6041547 0.83 MAPT (0.43) RAB9ANPC1TDP1L3MBTL1MAPT
SCHEMBL6041417 0.82 PDCD1 (0.41) REN
SCHEMBL7082067 0.82 RAB9A (0.39) RAB9ANPC1TDP1L3MBTL1MAPT
SCHEMBL6041853 0.80 REN (0.33) 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 RAB9A 1698/4885NPC1 418/4885TDP1 1041/4885

“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.