SCHEMBL17486605

SCHEMBL17486605

CCOC(=O)[C@@H]1CNCCC1c1ccc(C)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
PKM P14618 1/20 0.63
SLC6A3 Q01959 1/20 0.44
SLC18A2 Q05940 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
REN P00797 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM1A O60341 2/20 0.40

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
SCHEMBL17485268 1.00 MAPT (0.63) MAPTPKMSLC6A3SLC18A2MEN1
SCHEMBL17486608 0.90 MAPT (0.60) MAPTPKMSLC6A3SLC18A2MEN1
SCHEMBL7674949 0.90 MAPT (0.60) MAPTPKMSLC6A3SLC18A2MEN1
SCHEMBL7674955 0.90 MAPT (0.60) MAPTPKMSLC6A3SLC18A2MEN1
SCHEMBL7674961 0.90 MAPT (0.60) MAPTPKMSLC6A3SLC18A2MEN1
SCHEMBL17485211 0.90 MAPT (0.60) MAPTPKMSLC6A3SLC18A2MEN1
SCHEMBL17477235 0.90 MAPT (0.60) MAPTPKMSLC6A3SLC18A2MEN1
SCHEMBL17485186 0.90 MAPT (0.60) MAPTPKMSLC6A3SLC18A2MEN1
SCHEMBL17485168 0.90 MAPT (0.60) MAPTPKMSLC6A3KCNH2REN
SCHEMBL19483128 0.89 MAPT (0.79) MAPTPKMSLC6A3SLC18A2MEN1

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 3 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-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

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 809/4885SLC6A3 4/4885
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 MAPT 259/4885PKM 809/4885SLC6A3 4/4885

“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.