SCHEMBL17486641

SCHEMBL17486641

CCOC(=O)[C@H]1CN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC[C@H]1c1ccc(F)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 14/20 0.91
SLC6A3 Q01959 5/20 0.91
HTR2A P28223 3/20 0.91
HSD17B10 Q99714 3/20 0.55
MAPK10 P53779 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 2/20 0.52
CYP2C19 P33261 2/20 0.52
KCNH2 Q12809 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
HTR1A P08908 1/20 0.52
CYP2C9 P11712 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52

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
SCHEMBL17485176 0.98 SLC18A2 (0.91) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17486597 0.95 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17486601 0.95 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17477247 0.95 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL19483241 0.95 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17474531 0.95 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17486594 0.88 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17486624 0.88 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17486625 0.88 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL19484663 0.88 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10

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 SLC18A2 1/4885SLC6A3 4/4885HTR2A 55/4885
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 SLC18A2 1/4885SLC6A3 4/4885HTR2A 55/4885

“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.