SCHEMBL1968593

SCHEMBL1968593

CN(C(=O)C(F)(F)F)[C@@H]1CCN(C(=O)O)C(C(C)(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 12/20 0.38
TACR1 P25103 12/20 0.38
TAC3 Q9UHF0 5/20 0.38
TACR3 P29371 2/20 0.37
PGR P06401 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL1972572 0.82 TACR1 (0.44) TACR2TACR1TAC3TACR3
SCHEMBL1968840 0.80 TACR1 (0.42) TACR2TACR1TAC3TACR3
SCHEMBL1971001 0.79 SLC6A4 (0.37) TACR2TACR1PGRSLC6A2SLC6A4
SCHEMBL1974091 0.77 TACR1 (0.49) TACR2TACR1TAC3TACR3
SCHEMBL15463536 0.76 TACR1 (0.56) TACR2TACR1TAC3TACR3
SCHEMBL4002700 0.76 TACR1 (0.56) TACR2TACR1TAC3TACR3
SCHEMBL4150577 0.76 TACR1 (0.56) TACR2TACR1TAC3TACR3
SCHEMBL1971048 0.74 TACR1 (0.48) TACR2TACR1TAC3TACR3
SCHEMBL1973935 0.74 TACR1 (0.43) TACR2TACR1TAC3TACR3
SCHEMBL1969398 0.73 LMNA (0.37) TACR2TACR1SLC6A2SLC6A4SLC6A3

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 TACR2 29/4885TACR1 13/4885TAC3 65/4885

“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.