SCHEMBL1974018

SCHEMBL1974018

CN(C(=O)N(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.61
TACR2 P21452 10/20 0.61
TACR3 P29371 8/20 0.56
RORC P51449 1/20 0.48
USP30 Q70CQ3 2/20 0.46

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
SCHEMBL30693212 0.94 TACR1 (0.64) TACR1TACR2TACR3RORC
SCHEMBL1969074 0.94 TACR1 (0.64) TACR1TACR2TACR3RORC
SCHEMBL1971139 0.92 TACR1 (0.62) TACR1TACR2TACR3RORC
SCHEMBL30693166 0.92 TACR1 (0.62) TACR1TACR2TACR3RORC
SCHEMBL1971701 0.92 TACR1 (0.72) TACR1TACR2TACR3
SCHEMBL1972383 0.92 TACR1 (0.72) TACR1TACR2TACR3
SCHEMBL30693140 0.92 TACR1 (0.72) TACR1TACR2TACR3
SCHEMBL1971047 0.91 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL30693207 0.91 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL15397594 0.89 TACR1 (0.66) TACR1TACR2TACR3

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.