SCHEMBL6041547

SCHEMBL6041547

COCCOc1c(COC2CN(C(=O)O)CCC2c2ccc(OCc3nc(-c4cccs4)no3)cc2)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 3/20 0.43
FFAR1 O14842 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
REN P00797 2/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 4/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL6042439 0.96 MAPT (0.42) MAPTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL6043246 0.88 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7079374 0.88 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL6042838 0.85 MAPT (0.44) MAPTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7080518 0.84 REN (0.55) MAPTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL6042729 0.84 REN (0.55) MAPTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7083148 0.84 MAPT (0.40) MAPTRAB9ANPC1SMN1; SMN2TSHR
Bromide SCHEMBL6041996 0.84 REN (0.54) MAPTRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL6042525 0.83 RAB9A (0.39) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL7560414 0.82 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2TSHR

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 43/4885RAB9A 1698/4885NPC1 418/4885

“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.