SCHEMBL1968102

SCHEMBL1968102

CC(C)(C)N[C@@H]1CN(C(=O)O)C[C@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.43
SLC6A3 Q01959 13/20 0.43
SLC6A2 P23975 4/20 0.43

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
SCHEMBL1971251 1.00 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL1972533 0.86 TLR2 (0.43)
SCHEMBL1969431 0.86 TLR2 (0.43)
SCHEMBL1974159 0.82 KDM1A (0.40)
SCHEMBL18315842 0.81 RORC (0.46)
SCHEMBL1968860 0.81 TLR2 (0.43)
SCHEMBL1971299 0.81 TLR2 (0.43)
SCHEMBL1281181 0.79 SLC6A2 (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL4148515 0.77 CHRNA7 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL4149286 0.77 CHRNA7 (0.45) SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B SLC6A4 560/4885SLC6A3 405/4885SLC6A2 520/4885

“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.