SCHEMBL1281963

SCHEMBL1281963

O=C(CN1CCCC1)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.72
SLC6A4 P31645 18/20 0.71

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
Hydrochloric Acid SCHEMBL1280662 0.99 SLC6A2 (0.72) SLC6A2SLC6A4
SCHEMBL1286441 0.94 SLC6A2 (0.70) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1279780 0.93 SLC6A2 (0.71) SLC6A2SLC6A4
SCHEMBL1280799 0.91 SLC6A2 (0.67) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1281166 0.91 SLC6A2 (0.68) SLC6A2SLC6A4
SCHEMBL1697833 0.88 SLC6A2 (0.67) SLC6A2SLC6A4
SCHEMBL1281936 0.88 SLC6A2 (0.67) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1280833 0.87 SLC6A2 (0.68) SLC6A2SLC6A4
SCHEMBL1281052 0.87 SLC6A2 (0.80) SLC6A2SLC6A4
SCHEMBL1281557 0.86 SLC6A2 (0.73) SLC6A2SLC6A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722662-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-8722662-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-8722662-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130267494-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-10 US disclosed
US-20130267494-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-10 US disclosed
US-20130267494-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-10 US disclosed
US-20120088748-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US disclosed
US-20120088748-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US disclosed
US-20120088748-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US disclosed
WO-2012046882-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 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-20130267494-A1 1,4-OXAZEPANE DERIVATIVES MAOB, SLC6A4, SLC6A2 SLC6A2 3/4885SLC6A4 2/4885
US-20120088748-A1 HETEROCYCLIC COMPOUNDS SLC6A2, MAOB, MAOA SLC6A2 1/4885SLC6A4 5/4885

“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.