SCHEMBL1971192

SCHEMBL1971192

CN(C(=O)N(C)[C@@H]1CN(C(=O)Oc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.58
TACR2 P21452 9/20 0.58
TACR1 P25103 9/20 0.58
MGLL Q99685 3/20 0.43
FAAH O00519 1/20 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
SCHEMBL1969931 0.89 TACR1 (0.59) TACR3TACR2TACR1MGLLFAAH
SCHEMBL1972200 0.81 TACR1 (0.65) TACR3TACR2TACR1
SCHEMBL15397585 0.80 TACR3 (0.72) TACR3TACR2TACR1
SCHEMBL1971193 0.76 TACR2 (0.46) TACR3TACR2TACR1
SCHEMBL1969443 0.75 TACR1 (0.60) TACR3TACR2TACR1
SCHEMBL1972274 0.74 TACR1 (0.56) TACR3TACR2TACR1
SCHEMBL1973805 0.74 TACR1 (0.56) TACR3TACR2TACR1
SCHEMBL1970935 0.74 TACR3 (0.79) TACR3TACR2TACR1
SCHEMBL1969061 0.74 TACR3 (0.78) TACR3TACR2TACR1
SCHEMBL1970664 0.74 TACR1 (1.00) TACR3TACR2TACR1

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

“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.