SCHEMBL17485182

SCHEMBL17485182

CCOC(=O)[C@@H]1CNCC[C@@H]1c1cccc(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
PKM P14618 1/20 0.58
HTR2C P28335 3/20 0.49
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SLC9A1 P19634 1/20 0.44
REN P00797 1/20 0.43
CACNA1D Q01668 1/20 0.42
HPGD P15428 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 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
SCHEMBL17486619 1.00 MAPT (0.58) MAPTPKMHTR2CTSHRLMNA
SCHEMBL11081986 1.00 MAPT (0.58) MAPTPKMHTR2CTSHRLMNA
SCHEMBL12652935 0.91 MAPT (0.71) MAPTPKMHTR2CTSHRLMNA
SCHEMBL12617862 0.91 MAPT (0.71) MAPTPKMHTR2CTSHRLMNA
SCHEMBL17485277 0.87 MAPT (0.61) MAPTPKMHTR2CTSHRALDH1A1
SCHEMBL17485278 0.87 MAPT (0.54) MAPTPKMHTR2CPOLBALDH1A1
SCHEMBL17485167 0.86 MAPT (0.59) MAPTPKMTSHRLMNAKDM4E
SCHEMBL17486620 0.86 MAPT (0.59) MAPTPKMTSHRLMNAKDM4E
SCHEMBL17485213 0.85 MAPT (0.59) MAPTPKMALDH1A1
SCHEMBL17485233 0.85 MAPT (0.59) MAPTPKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
US-9546151-B2 VMAT inhibitory compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-17 US disclosed
WO-2016019312-A2 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-02-04 WO disclosed
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2016-02-04 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-20170298042-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 MAPT 259/4885PKM 809/4885HTR2C 83/4885
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 MAPT 259/4885PKM 809/4885HTR2C 83/4885

“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.