SCHEMBL483775

SCHEMBL483775

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.50
HSD17B10 Q99714 1/20 0.48
DRD2 P14416 5/20 0.48
DRD3 P35462 3/20 0.48
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
RAB9A P51151 1/20 0.46
KLF5 Q13887 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRA1A P35348 2/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
ADRA2A P08913 1/20 0.45

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
SCHEMBL13164792 0.90 SLC6A2 (0.49) HTR1AHSD17B10DRD2DRD3KDM4E
SCHEMBL483921 0.90 HSD17B10 (0.51) HTR1AHSD17B10DRD2DRD3KDM4E
SCHEMBL15386061 0.88 DRD2 (0.61) HTR1AHSD17B10DRD2KDM4ENPC1
SCHEMBL12324093 0.87 MAPT (0.48) HTR1AHSD17B10DRD2DRD3KDM4E
SCHEMBL15386063 0.85 DRD2 (0.48) HTR1AHSD17B10DRD2DRD3KDM4E
SCHEMBL483845 0.85 MAPT (0.47) HTR1AHSD17B10DRD2DRD3KDM4E
SCHEMBL12323523 0.84 MIF (0.46) HTR1AHSD17B10DRD2DRD3KDM4E
SCHEMBL12403497 0.80 NPC1 (0.47) HTR1AHSD17B10DRD2DRD3NPC1
SCHEMBL10994325 0.79 HSD17B10 (0.73) HTR1AHSD17B10DRD2DRD3ADRA1A
SCHEMBL2163342 0.79 HTR1A (0.62) HTR1AKDM4ENPC1MAPTXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
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
CN-103739605-A Imaging agents for detecting neurological disorders LILLY CO ELI 2014-04-23 CN disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
CN-102985411-A Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS 2013-03-20 CN 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
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
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
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 HTR1A 1323/4885HSD17B10 3820/4885DRD2 4287/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 HTR1A 1522/4885HSD17B10 3766/4885DRD2 4005/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 HTR1A 1323/4885HSD17B10 3820/4885DRD2 4287/4885

“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.