SCHEMBL6042387

SCHEMBL6042387

CSc1ccc(COC2CN(C(=O)O)CCC2c2ccc(OCc3nc(-c4cccs4)no3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
MAPT P10636 5/20 0.47
TSHR P16473 3/20 0.47
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 5/20 0.46
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
REN P00797 2/20 0.42
PKM P14618 2/20 0.40
POLB P06746 1/20 0.39
ADRB2 P07550 1/20 0.39
HPGD P15428 1/20 0.39
PSMB5 P28074 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL6042729 0.89 REN (0.55) FFAR1MAPTTSHRRAB9ASMN1; SMN2
SCHEMBL6961201 0.87 MAPT (0.45) FFAR1MAPTTSHRRAB9ASMN1; SMN2
SCHEMBL6042911 0.85 REN (0.43) FFAR1MAPTTSHRTDP1LMNA
SCHEMBL6042416 0.83 REN (0.60) FFAR1MAPTTSHRRAB9ASMN1; SMN2
SCHEMBL6042838 0.81 MAPT (0.44) FFAR1MAPTTSHRRAB9ASMN1; SMN2
SCHEMBL6043886 0.80 REN (0.39) REN
SCHEMBL6041547 0.80 MAPT (0.43) FFAR1MAPTTSHRRAB9ASMN1; SMN2
SCHEMBL6042439 0.79 MAPT (0.42) FFAR1MAPTTSHRRAB9ASMN1; SMN2
SCHEMBL6042397 0.78 REN (0.69) FFAR1RAB9ASMN1; SMN2NPC1TDP1
SCHEMBL7080728 0.77 REN (0.49) FFAR1MAPTTSHRRAB9ASMN1; 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 FFAR1 4168/4885MAPT 43/4885TSHR 3417/4885

“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.