SCHEMBL1973697

SCHEMBL1973697

CN(C(=O)N(C)[C@@H]1CN(C(=O)NC2CCC(N(C(=O)O)C(C)(C)C)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.76
TACR3 P29371 12/20 0.76
TACR2 P21452 11/20 0.76

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
SCHEMBL1973696 1.00 TACR1 (0.76) TACR1TACR3TACR2
SCHEMBL1970253 0.92 TACR1 (0.81) TACR1TACR3TACR2
SCHEMBL1970251 0.92 TACR1 (0.81) TACR1TACR3TACR2
SCHEMBL1973247 0.92 TACR1 (0.89) TACR1TACR3TACR2
SCHEMBL15397515 0.90 TACR1 (0.83) TACR1TACR3TACR2
SCHEMBL15397514 0.90 TACR1 (0.83) TACR1TACR3TACR2
SCHEMBL1973681 0.89 TACR1 (0.86) TACR1TACR3TACR2
SCHEMBL1973969 0.89 TACR1 (0.75) TACR1TACR3TACR2
SCHEMBL1973968 0.89 TACR1 (0.75) TACR1TACR3TACR2
SCHEMBL1969596 0.88 TACR1 (0.77) TACR1TACR3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
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 13/4885TACR3 82/4885TACR2 29/4885

“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.