SCHEMBL12438436

SCHEMBL12438436

O=C(O)c1cccc(CN2CCNCCNCCNCCNCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
HIF1A Q16665 1/20 0.71
SIGMAR1 Q99720 1/20 0.58
KDM5C P41229 1/20 0.57
KDM4C Q9H3R0 1/20 0.57
CHRM3 P20309 13/20 0.56
KDM1A O60341 1/20 0.51
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL28744419 0.98 CYP2D6 (0.73) CYP2D6CYP2C9HIF1ASIGMAR1KDM5C
SCHEMBL21043985 0.91 CYP2D6 (0.63) CYP2D6CYP2C9HIF1ASIGMAR1KDM5C
SCHEMBL30218441 0.91 CYP2D6 (0.63) CYP2D6CYP2C9HIF1ASIGMAR1KDM5C
SCHEMBL4176561 0.85 SLC6A4 (0.58) CYP2D6CYP2C9HIF1ASIGMAR1CHRM3
SCHEMBL30799020 0.85 SLC6A4 (0.58) CYP2D6CYP2C9HIF1ASIGMAR1CHRM3
SCHEMBL7037977 0.85 CHRM3 (0.69) CYP2D6CYP2C9HIF1ASIGMAR1CHRM3
SCHEMBL11369241 0.84 CYP2D6 (0.97) CYP2D6CYP2C9HIF1AKDM1AKDM4E
SCHEMBL29631127 0.84 CYP2D6 (0.97) CYP2D6CYP2C9HIF1AKDM1AKDM4E
SCHEMBL8341206 0.83 CYP2D6 (1.00) CYP2D6CYP2C9HIF1AKDM1A
Hydrochloric Acid SCHEMBL1371448 0.83 CYP2D6 (0.94) CYP2D6CYP2C9HIF1AKDM1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9217009-B2 Version of FDG detectable by single-photon emission computed tomography MALLINCKRODT LLC (US) 2015-12-22 US disclosed
US-9217009-B2 Version of FDG detectable by single-photon emission computed tomography MALLINCKRODT LLC (US) 2015-12-22 US disclosed
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT VETERINARY, INC. 2014-12-25 US disclosed
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT VETERINARY, INC. 2014-12-25 US disclosed
US-8858916-B2 Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent MALLINCKRODT LLC (US) 2014-10-14 US disclosed
US-8858916-B2 Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent MALLINCKRODT LLC (US) 2014-10-14 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 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-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography SLC2A1, SLC2A4, SLC2A3 CYP2D6 1214/4885CYP2C9 3642/4885HIF1A 343/4885
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY SLC2A1, SLC2A4, SLC2A3 CYP2D6 1214/4885CYP2C9 3642/4885HIF1A 343/4885

“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.