SCHEMBL924602

SCHEMBL924602

O=C(O)c1ccc(=O)n(C2CCC(c3ccccc3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.44
SIGMAR1 Q99720 5/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
USP5 P45974 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
RECQL P46063 1/20 0.38
CYP2D6 P10635 1/20 0.37
TRPV1 Q8NER1 2/20 0.36

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
SCHEMBL924577 0.92 SLC18A3 (0.40) SLC18A3SIGMAR1AKR1C3AKR1C1DRD2
SCHEMBL3160335 0.82 HSD17B10 (0.41) KDM4EALDH1A1
SCHEMBL924580 0.80 AKR1C3 (0.40) SLC18A3SIGMAR1AKR1C3AKR1C1DRD2
SCHEMBL924527 0.76 HSD17B10 (0.49) KDM4EALDH1A1MEN1KMT2A
SCHEMBL924129 0.75 HSD17B10 (0.51) KDM4EALDH1A1MEN1KMT2A
SCHEMBL924794 0.75 USP2 (0.40) KDM4EALDH1A1RECQL
SCHEMBL13163506 0.74 CYP2D6 (0.52) SLC18A3TRPV6KDM4EALDH1A1MEN1
SCHEMBL923799 0.73 KMO (0.39) SLC18A3SIGMAR1AKR1C3AKR1C1
SCHEMBL21063571 0.72 CHRNB2 (0.37) KDM4EALDH1A1KMT2A
SCHEMBL14406963 0.72 TP53 (0.35) ALDH1A1

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 SLC18A3 2803/4885SIGMAR1 4308/4885AKR1C3 989/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP SLC18A3 2803/4885SIGMAR1 4308/4885AKR1C3 989/4885

“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.