SCHEMBL1973535

SCHEMBL1973535

CN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.51
TACR2 P21452 7/20 0.51
TACR3 P29371 5/20 0.49
STS P08842 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL30693170 1.00 TACR1 (0.51) TACR1TACR2TACR3STSMEN1
SCHEMBL1973933 0.89 TACR1 (0.53) TACR1TACR2TACR3STS
SCHEMBL30693175 0.89 TACR1 (0.53) TACR1TACR2TACR3STS
SCHEMBL15397681 0.88 TACR1 (0.54) TACR1TACR2TACR3
SCHEMBL15397682 0.88 TACR1 (0.54) TACR1TACR2TACR3
SCHEMBL15463497 0.88 TACR1 (0.54) TACR1TACR2TACR3
SCHEMBL13801593 0.86 TACR1 (0.51) TACR1STSMEN1KMT2A
SCHEMBL13814718 0.86 TACR1 (0.51) TACR1STSMEN1KMT2A
SCHEMBL1968672 0.84 TACR1 (0.49) TACR1STS
SCHEMBL30693218 0.84 TACR1 (0.49) TACR1STS

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 TACR1 13/4885TACR2 29/4885TACR3 82/4885

“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.