SCHEMBL923799

SCHEMBL923799

O=C(O)c1cc(Br)c(=O)n(C2CCCC(c3ccccc3)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.39
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
SLC18A3 Q16572 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
FFAR4 Q5NUL3 9/20 0.35

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
SCHEMBL924580 0.93 AKR1C3 (0.40) KMOAKR1C3AKR1C1SLC18A3SIGMAR1
SCHEMBL924910 0.88 KDM4E (0.47)
SCHEMBL926212 0.81 HSD17B10 (0.43)
SCHEMBL924577 0.81 SLC18A3 (0.40) KMOAKR1C3AKR1C1SLC18A3SIGMAR1
SCHEMBL924602 0.73 SLC18A3 (0.44) AKR1C3AKR1C1SLC18A3SIGMAR1
Bicarbonate SCHEMBL7568966 0.67 AKR1C3 (0.60) KMOAKR1C3AKR1C1SLC18A3
SCHEMBL4966506 0.65 CHRNA7 (0.42) AKR1C3AKR1C1SLC18A3
SCHEMBL9471737 0.64 CYP2D6 (0.50) KMOAKR1C3AKR1C1
SCHEMBL27612290 0.64 NOTUM (0.39)
SCHEMBL4965859 0.64 KMO (0.43) KMOAKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO 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 (2 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KMO 2060/4885AKR1C3 989/4885AKR1C1 1475/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP KMO 2060/4885AKR1C3 989/4885AKR1C1 1475/4885

“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.