SCHEMBL483845

SCHEMBL483845

COc1ccc2nc(-c3ccc(N4CCN(CCOCCF)CC4)cc3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HSD17B10 Q99714 1/20 0.46
MIF P14174 4/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
XBP1 P17861 1/20 0.44
RAB9A P51151 1/20 0.44
KLF5 Q13887 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HTR1A P08908 5/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 1/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL12323523 0.99 MIF (0.46) MAPTHSD17B10MIFKDM4ENPC1
SCHEMBL483921 0.91 HSD17B10 (0.51) MAPTHSD17B10KDM4ENPC1XBP1
SCHEMBL12324093 0.91 MAPT (0.48) MAPTHSD17B10KDM4ENPC1XBP1
SCHEMBL15386063 0.90 DRD2 (0.48) MAPTHSD17B10MIFKDM4ENPC1
SCHEMBL13164792 0.87 SLC6A2 (0.49) MAPTHSD17B10MIFKDM4ENPC1
SCHEMBL15386061 0.86 DRD2 (0.61) MAPTHSD17B10KDM4ENPC1XBP1
SCHEMBL483775 0.85 HTR1A (0.50) MAPTHSD17B10KDM4ENPC1XBP1
SCHEMBL483802 0.83 MAPT (0.55) MAPTMIFKDM4ENPC1XBP1
SCHEMBL12324098 0.82 HTR7 (0.43) MAPTMIFMAOAMAOBHTR1A
SCHEMBL13127319 0.79 MAPT (0.53) MAPTMIFKDM4ENPC1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US claimed
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
EP-2411057-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2012-02-01 EP disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 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 (3 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-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 MAPT 1/4885HSD17B10 3820/4885MIF 2518/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 MAPT 1/4885HSD17B10 3766/4885MIF 2151/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 MAPT 1/4885HSD17B10 3820/4885MIF 2518/4885

“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.