SCHEMBL1970998

SCHEMBL1970998

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(F)(F)F)[C@H](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.44
STS P08842 3/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TACR3 P29371 3/20 0.42
RORC P51449 1/20 0.41
TACR1 P25103 5/20 0.41
TACR2 P21452 4/20 0.39
TAC3 Q9UHF0 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL30693130 1.00 PDE4B (0.44) PDE4BSTSSLC6A2SLC6A4SLC6A3
SCHEMBL4153692 0.86 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TACR3TACR1
SCHEMBL4150259 0.86 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TACR3TACR1
SCHEMBL13801316 0.85 TACR1 (0.49) PDE4BSTSTACR3TACR1TACR2
SCHEMBL13801311 0.85 TACR1 (0.49) PDE4BSTSTACR3TACR1TACR2
SCHEMBL13801240 0.85 TACR1 (0.49) PDE4BSTSTACR3TACR1TACR2
SCHEMBL4150434 0.85 TACR1 (0.49) PDE4BSTSTACR3TACR1TACR2
SCHEMBL13814702 0.85 DGAT2 (0.48) PDE4BTACR3
SCHEMBL13801260 0.85 DGAT2 (0.48) PDE4BTACR3
SCHEMBL19893540 0.85 RORC (0.54) STSRORCTACR1GPR119

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 PDE4B 3803/4885STS 2213/4885SLC6A2 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.