SCHEMBL6043263

SCHEMBL6043263

COCCOCOC(OC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(OCc2nc(-c3cccs3)no2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
FFAR1 O14842 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
LMNA P02545 3/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 3/20 0.34
REN P00797 2/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.32
PRMT5 O14744 1/20 0.32
GBA1 P04062 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
SCHEMBL7560414 0.88 MAPT (0.43) MAPTTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6043246 0.84 MAPT (0.41) MAPTTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7577186 0.78 REN (0.52) MAPTTSHRNPC1RAB9ASMN1; SMN2
Bromide SCHEMBL7563739 0.77 REN (0.52) MAPTTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6042439 0.76 MAPT (0.42) MAPTTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7083148 0.76 MAPT (0.40) MAPTTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7080728 0.73 REN (0.49) MAPTTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6042729 0.73 REN (0.55) MAPTTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7563846 0.73 CYP3A4 (0.33) MAPTRENGAA
SCHEMBL6041547 0.73 MAPT (0.43) MAPTTSHRNPC1RAB9ASMN1; SMN2

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 43/4885TSHR 3417/4885NPC1 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.