SCHEMBL6043003

SCHEMBL6043003

O=C(OCC1CN(C(=O)O)CCC1(OC(=O)OCC(Cl)(Cl)Cl)c1ccc(Br)cc1)OCC(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
SALL4 Q9UJQ4 9/20 0.33
CSNK1A1 P48729 8/20 0.33
GSPT1 P15170 7/20 0.33
IKZF3 Q9UKT9 7/20 0.33
CXCR3 P49682 2/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL6042700 0.67 CHRM2 (0.39) SALL4CSNK1A1
SCHEMBL6042380 0.67 CHRM2 (0.35) SALL4CSNK1A1
SCHEMBL6042866 0.65 OPRK1 (0.45)
SCHEMBL27654446 0.61 KMT2A (0.45)
SCHEMBL1427539 0.60 CA12 (0.57)
SCHEMBL3585852 0.59 HSD11B1 (0.45) NPSR1LMNA
SCHEMBL27674461 0.59 ESR1 (0.46)
SCHEMBL4662764 0.59 CA12 (0.43)
SCHEMBL21855146 0.59 CA12 (0.43) LMNA
SCHEMBL3633446 0.58 CA12 (0.51)

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 NPSR1 249/4885SALL4 4166/4885CSNK1A1 1395/4885

“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.