SCHEMBL924577

SCHEMBL924577

O=C(O)c1ccc(=O)n(C2CCCC(c3ccccc3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
KMO O15229 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCAR3 P49019 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL924602 0.92 SLC18A3 (0.44) SLC18A3SIGMAR1AKR1C3AKR1C1CYP2D6
SCHEMBL924794 0.81 USP2 (0.40) HSD17B10HCAR3NPC1RAB9AGAA
SCHEMBL923799 0.81 KMO (0.39) SLC18A3SIGMAR1KMOAKR1C3AKR1C1
SCHEMBL924527 0.80 HSD17B10 (0.49) HSD17B10HCAR3GAAALDH1A1HPGD
SCHEMBL924129 0.79 HSD17B10 (0.51) KMOHSD17B10HCAR3NPC1RAB9A
SCHEMBL3160335 0.77 HSD17B10 (0.41) HSD17B10HCAR3GAAALDH1A1KDM4E
SCHEMBL924580 0.72 AKR1C3 (0.40) SLC18A3SIGMAR1KMOAKR1C3AKR1C1
SCHEMBL924910 0.72 KDM4E (0.47) CYP2D6HSD17B10GAAALDH1A1HIF1A
SCHEMBL9471737 0.70 CYP2D6 (0.50) KMOAKR1C3AKR1C1CYP2D6HCAR3
SCHEMBL21063571 0.70 CHRNB2 (0.37) HSD17B10GAAALDH1A1HPGDKDM4E

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-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
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 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 (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 4308/4885KMO 2060/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP SLC18A3 2803/4885SIGMAR1 4308/4885KMO 2060/4885

“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.