SCHEMBL6629465

SCHEMBL6629465

O=C(O)C1CNCCC1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
USP30 Q70CQ3 1/20 0.45
FFAR1 O14842 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
GPR88 Q9GZN0 1/20 0.45
JAK3 P52333 1/20 0.43
FPR1 P21462 2/20 0.41
FPR2 P25090 2/20 0.41

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
SCHEMBL13594749 0.91 MAPT (0.52) MAPTPKMFPR1FPR2
SCHEMBL4000727 0.91 MAPT (0.52) MAPTPKMFPR1FPR2
SCHEMBL16579327 0.91 MAPT (0.52) MAPTPKMFPR1FPR2
SCHEMBL4000732 0.91 MAPT (0.52) MAPTPKMFPR1FPR2
SCHEMBL4000731 0.91 MAPT (0.52) MAPTPKMFPR1FPR2
Hydrochloric Acid SCHEMBL3651871 0.89 MAPT (0.55) MAPTPKMFPR1FPR2
Hydrochloric Acid SCHEMBL3651873 0.89 MAPT (0.55) MAPTPKMFPR1FPR2
Hydrochloric Acid SCHEMBL2882377 0.89 MAPT (0.55) MAPTPKMFPR1FPR2
SCHEMBL17474510 0.83 FFAR1 (0.50) FFAR1MAPTPKM
SCHEMBL7677955 0.83 PRCP (0.44)

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
EP-3174864-A2 VMAT INHIBITORY COMPOUNDS Oregon Health & Science University (US) 2017-06-07 EP 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
WO-2016019312-A2 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-02-04 WO disclosed
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 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 SLC6A2 3/4885SLC6A4 6/4885NPC1 38/4885
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 SLC6A2 3/4885SLC6A4 6/4885NPC1 38/4885

“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.