SCHEMBL17486622

SCHEMBL17486622

CCOC(=O)C1CNCCC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
SLC6A4 P31645 8/20 0.48
SLC6A3 Q01959 7/20 0.48
SLC6A2 P23975 8/20 0.48
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL17474582 1.00 MAPT (0.54) MAPTPKMSLC6A4SLC6A3SLC6A2
SCHEMBL2232983 0.89 MAPT (0.51) MAPTPKMSLC6A4SLC6A3SLC6A2
SCHEMBL2232991 0.89 MAPT (0.51) MAPTPKMSLC6A4SLC6A3SLC6A2
SCHEMBL17485235 0.84 MAPT (0.55) MAPTPKMSLC6A4SLC6A3SLC6A2
SCHEMBL17486605 0.84 MAPT (0.63) MAPTPKMSLC6A3ALDH1A1SMN1; SMN2
SCHEMBL17485268 0.84 MAPT (0.63) MAPTPKMSLC6A3ALDH1A1SMN1; SMN2
SCHEMBL17485280 0.83 MAPT (0.54) MAPTPKMALDH1A1
SCHEMBL17485234 0.82 PDE4B (0.60) MAPTPKMKDM4EALDH1A1
SCHEMBL17474501 0.82 PDE4B (0.60) MAPTPKMKDM4EALDH1A1
SCHEMBL17485185 0.82 MAPT (0.58) MAPTPKMSLC6A4SLC6A3SLC6A2

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 6 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

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 809/4885SLC6A4 6/4885
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 MAPT 259/4885PKM 809/4885SLC6A4 6/4885

“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.