SCHEMBL6042838

SCHEMBL6042838

COc1cc(COC2CN(C(=O)O)CCC2c2ccc(OCc3nc(-c4cccs4)no3)cc2)c(OC)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 3/20 0.44
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
REN P00797 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL6042133 0.90 REN (0.45) MAPTNPC1RAB9ATSHRFFAR1
SCHEMBL6041416 0.90 REN (0.45) MAPTTSHRFFAR1RENHTT
SCHEMBL7080600 0.88 MAPT (0.42) MAPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6042729 0.85 REN (0.55) MAPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6041547 0.85 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6041946 0.84 REN (0.60) MAPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6042439 0.83 MAPT (0.42) MAPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6043400 0.83 REN (0.55) REN
SCHEMBL6042387 0.81 FFAR1 (0.51) MAPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6042111 0.81 REN (0.45) MAPTSMN1; SMN2NPC1RAB9AMEN1

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 43/4885SMN1; SMN2 1096/4885NPC1 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.