SCHEMBL564593

SCHEMBL564593

C=CCN(CC=C)c1ccc2cc(C)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.46
CYP1A2 P05177 3/20 0.46
TDP1 Q9NUW8 1/20 0.41
CRHR1 P34998 3/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
DHFR P00374 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR1E P28566 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL10935728 0.81 INSR (0.46) CYP2A6CYP1A2TDP1DHFRSIGMAR1
SCHEMBL544100 0.81 ALDH1A1 (0.48) TDP1CRHR1CNR1CNR2ALDH1A1
SCHEMBL28594401 0.79 ALDH1A1 (0.34) CRHR1DHFRALDH1A1TERTKDM4E
SCHEMBL564592 0.79 CHKA (0.34) CRHR1DHFRTERTCHKA
SCHEMBL564591 0.79 CHKA (0.34) CRHR1DHFRTERTCHKA
SCHEMBL11375051 0.78 CYP1A2 (0.49) CYP1A2CRHR1DHFRTERTKDM4E
SCHEMBL7902533 0.78 TDP1 (0.44) CYP1A2TDP1HTR2BSIGMAR1ALDH1A1
SCHEMBL12288737 0.77 TERT (0.57) CYP2A6CYP1A2TDP1ALDH1A1TSHR
SCHEMBL11388779 0.75 CHKA (0.39) CRHR1DHFRCHKA
SCHEMBL8910940 0.75 DHFR (0.34) CRHR1DHFRTERTCHKA

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164158-B1 COMPOUNDS BINDING TO NEUROPATHOLOGICAL AGGREGATES YOUSEFI BEHROOZ (DE) 2020-04-01 EP disclosed
US-10421722-B2 Sulfur-containing compounds targeting vesicular acetylcholine transporter WASHINGTON UNIVERSITY (US) 2019-09-24 US disclosed
US-10328163-B2 Compounds binding to neuropathological aggregates Technische Universität München (DE) 2019-06-25 US disclosed
US-20170355675-A1 SULFUR-CONTAINING COMPOUNDS TARGETING VESICULAR ACETYLCHOLINE TRANSPORTER WASHINGTON UNIVERSITY (US) 2017-12-14 US disclosed
US-20170157274-A1 COMPOUNDS BINDING TO NEUROPATHOLOGICAL AGGREGATES YOUSEFI, Behrooz H. (DE) 2017-06-08 US disclosed
EP-3164158-A1 COMPOUNDS BINDING TO NEUROPATHOLOGICAL AGGREGATES Technische Universität München (DE) 2017-05-10 EP disclosed
WO-2016001422-A1 COMPOUNDS BINDING TO NEUROPATHOLOGICAL AGGREGATES Technische Universität München (DE) 2016-01-07 WO disclosed
US-9216974-B2 Phenoxazine derivatives and methods of use thereof WASHINGTON UNIVERSITY (US) 2015-12-22 US disclosed
US-9115099-B2 Phenoxazine derivatives and methods of use thereof WASHINGTON UNIVERSITY (US) 2015-08-25 US disclosed
US-20150175589-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF UNIV WASHINGTON (US) 2015-06-25 US disclosed
US-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-12-04 US disclosed
WO-2008124812-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-16 WO disclosed
US-20080233049-A1 Agents And Methods For Early Diagnosis And Monitoring Of Alzheimer's Disease And Other Neurological Disorders Ferguson, Ian Andrew (AU) 2008-09-25 US disclosed
US-20080166299-A1 Prevent accumulation of amyloid deposits TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-07-10 US disclosed
WO-2008073350-A2 ACETYLENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-06-19 WO disclosed
EP-1893245-A2 RADIOLABELED-PEGYLATION OF LIGANDS FOR USE AS IMAGING AGENTS The Trustees of the University of Pennsylvania (US) 2008-03-05 EP disclosed
US-20070122341-A1 Benzylideneaniline derivatives and their radioisotope labeled compounds for binding and imaging of beta-amyloid plaques SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-05-31 US disclosed
US-20070031328-A1 Radiolabeled-pegylation of ligands for use as imaging agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-08 US disclosed
WO-2007002540-A2 RADIOLABELED-PEGYLATION OF LIGANDS FOR USE AS IMAGING AGENTS KUNG HANK F (US) 2007-01-04 WO disclosed
WO-2006070290-A2 AGENTS AND METHODS FOR EARLY DIAGNOSIS AND MONITORING OF ALZHEIMER'S DISEASE AND OTHER NEUROLOGICAL DISORDERS FERGUSON IAN A (AU) 2006-07-06 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 (9 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-20170157274-A1 COMPOUNDS BINDING TO NEUROPATHOLOGICAL AGGREGATES MAPT, APBA1, NEFM CYP2A6 4879/4885CYP1A2 4869/4885TDP1 553/4885
US-20150175589-A1 PHENOXAZINE DERIVATIVES AND METHODS OF USE THEREOF PPOX, CYP4Z1, PRDX2 CYP2A6 205/4885CYP1A2 12/4885TDP1 2684/4885
US-20080166299-A1 Prevent accumulation of amyloid deposits APP, IAPP, TTR CYP2A6 4741/4885CYP1A2 4576/4885TDP1 400/4885
US-20170355675-A1 SULFUR-CONTAINING COMPOUNDS TARGETING VESICULAR ACETYLCHOLINE TRANSPORTER SLC18A3, SLC18A2, SLC7A11 CYP2A6 2814/4885CYP1A2 3371/4885TDP1 3117/4885
US-10328163-B2 Compounds binding to neuropathological aggregates MAPT, APBA1, NEFM CYP2A6 4879/4885CYP1A2 4869/4885TDP1 553/4885
US-10421722-B2 Sulfur-containing compounds targeting vesicular acetylcholine transporter SLC18A3, SLC18A2, SLC7A11 CYP2A6 2814/4885CYP1A2 3371/4885TDP1 3117/4885
US-20070031328-A1 Radiolabeled-pegylation of ligands for use as imaging agents EGFR, LANCL1, FLT1 CYP2A6 3858/4885CYP1A2 3180/4885TDP1 4236/4885
US-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION APP, BACE1, PSEN1 CYP2A6 3574/4885CYP1A2 579/4885TDP1 1827/4885
US-20070122341-A1 Benzylideneaniline derivatives and their radioisotope labeled compounds for binding and imaging of beta-amyloid plaques APP, BACE1, APBA1 CYP2A6 1888/4885CYP1A2 1016/4885TDP1 3328/4885

“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.