SCHEMBL4433161

SCHEMBL4433161

O=C1Cc2ccccc2-c2ccccc2N1CC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
APAF1 O14727 3/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 4/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
OPRM1 P35372 3/20 0.44
OPRL1 P41146 3/20 0.44
TRPA1 O75762 2/20 0.44
OPRK1 P41145 2/20 0.44
ACHE P22303 1/20 0.43
CASP3 P42574 3/20 0.42
CASP6 P55212 3/20 0.42
SENP8 Q96LD8 3/20 0.42

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
SCHEMBL4995780 0.82 OPRL1 (0.41) KMT2AMEN1MAPTGAAHSD17B10
SCHEMBL8025052 0.82 OPRL1 (0.41) KMT2AMEN1MAPTGAAHSD17B10
SCHEMBL18781371 0.80 OPRL1 (0.61) OPRM1OPRL1TRPA1OPRK1HTR7
SCHEMBL18781369 0.80 OPRL1 (0.61) OPRM1OPRL1TRPA1OPRK1HTR7
SCHEMBL18194983 0.78 HTR7 (0.51) OPRM1OPRL1OPRK1ACHEHTR7
SCHEMBL19691227 0.78 OPRM1 (0.46) OPRM1OPRL1OPRK1HTR7DRD2
SCHEMBL30685866 0.78 OPRM1 (0.46) HPGDOPRM1OPRL1OPRK1HTR7
SCHEMBL30363970 0.78 OPRM1 (0.46) OPRM1OPRL1OPRK1HTR7DRD2
SCHEMBL14139497 0.77 KMT2A (0.49) KMT2AAPAF1MEN1ALDH1A1MAPT
SCHEMBL7848632 0.76 ADRA1D (0.49) KMT2AAPAF1MEN1ALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711470-B1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7160875-B2 Malonamide derivatives HOFFMANN-LA RACHE INC. (US) 2007-01-09 US disclosed
EP-1711470-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2006-10-18 EP disclosed
WO-2005023772-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. 2005-03-10 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-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease BACE1, BACE2, APP KMT2A 3495/4885APAF1 367/4885MEN1 1679/4885

“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.