SCHEMBL19484663

SCHEMBL19484663

CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CCC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 13/20 1.00
SLC6A3 Q01959 4/20 1.00
HTR2A P28223 2/20 0.87
HSD17B10 Q99714 2/20 0.55
MAPK10 P53779 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50

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
SCHEMBL17486625 1.00 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17486623 1.00 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17486632 0.95 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL19484640 0.95 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17486594 0.95 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17486624 0.95 SLC18A2 (1.00) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17486636 0.93 SLC18A2 (0.87) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17485175 0.93 SLC18A2 (0.87) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17485171 0.93 SLC18A2 (0.87) SLC18A2SLC6A3HTR2AHSD17B10MAPK10
SCHEMBL17477247 0.93 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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.