SCHEMBL6042731

SCHEMBL6042731

COC(=O)c1ccc(C2C(O)CN(C(=O)O)CC2COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.37
MAPT P10636 4/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH1 P35367 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NAMPT P43490 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL3904345 0.89 SLC6A11 (0.44) RAB9AMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL6044052 0.85 MAPT (0.38) MAPTALDH1A1SLC6A1SLC6A11CYP3A4
SCHEMBL6959407 0.82 HDAC1 (0.34) GRIN2BMAPTRAB9AMEN1KMT2A
SCHEMBL6042971 0.82 ALDH1A1 (0.39) GRIN2BMAPTRAB9AMEN1KMT2A
SCHEMBL4583013 0.79 SLC6A1 (0.32) SLC6A1SLC6A11
SCHEMBL6043626 0.78 REN (0.43) RAB9AKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1037119 0.77 MMP9 (0.43) GRIN2BRAB9ASMN1; SMN2NPC1SLC6A1
SCHEMBL1941545 0.71 SIGMAR1 (0.44) MEN1KMT2ASLC6A1SLC6A11
SCHEMBL6956483 0.71 MAPT (0.35) MAPTALDH1A1SLC6A1SLC6A11CYP3A4
SCHEMBL2683708 0.71 SIGMAR1 (0.44) MEN1KMT2ASLC6A1SLC6A11

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 GRIN2B 176/4885MAPT 43/4885RAB9A 1698/4885

“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.