SCHEMBL6041811

SCHEMBL6041811

COc1c(COC2CN(C(=O)O)CCC2c2ccc(OCc3cc(-c4ccccc4)no3)cc2)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.42
NPC1 O15118 7/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
REN P00797 1/20 0.38
POLB P06746 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

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
SCHEMBL6042525 0.94 RAB9A (0.39) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6042111 0.90 REN (0.45) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL7082067 0.88 RAB9A (0.39) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6043947 0.85 REN (0.50) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6043107 0.82 REN (0.36) RAB9ATDP1RENLMNA
SCHEMBL6043099 0.82 REN (0.36) RAB9ATDP1RENLMNA
Trifluoroacetic Acid SCHEMBL6041507 0.82 REN (0.50) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6041261 0.82 REN (0.41) RAB9ANPC1REN
SCHEMBL7080459 0.82 NPC1 (0.36) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6042210 0.80 HPGD (0.38) RAB9ANPC1MAPTSMN1; SMN2REN

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 418/4885L3MBTL1 1516/4885

“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.