SCHEMBL17485237

SCHEMBL17485237

CCOC(=O)[C@H]1CNCC[C@H]1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
PKM P14618 2/20 0.56
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
CACNA1D Q01668 1/20 0.43

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
SCHEMBL6594772 0.89 MAPT (0.53) MAPTPKMALDH1A1LMNAHTT
SCHEMBL17486605 0.85 MAPT (0.63) MAPTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL17485268 0.85 MAPT (0.63) MAPTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL17485186 0.83 MAPT (0.60) MAPTPKMALDH1A1KMT2A
SCHEMBL7674949 0.83 MAPT (0.60) MAPTPKMALDH1A1KMT2A
SCHEMBL7674961 0.83 MAPT (0.60) MAPTPKMALDH1A1KMT2A
SCHEMBL17485168 0.83 MAPT (0.60) MAPTPKMLMNA
SCHEMBL17477235 0.83 MAPT (0.60) MAPTPKMALDH1A1KMT2A
SCHEMBL17485211 0.83 MAPT (0.60) MAPTPKMALDH1A1KMT2A
SCHEMBL17486608 0.83 MAPT (0.60) MAPTPKMALDH1A1KMT2A

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 7 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
US-9546151-B2 VMAT inhibitory compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-17 US disclosed
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2016-02-04 US disclosed
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2016-02-04 US disclosed
WO-2016019312-A2 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-02-04 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 (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 809/4885ALDH1A1 887/4885
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 MAPT 259/4885PKM 809/4885ALDH1A1 887/4885

“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.