SCHEMBL1974192

SCHEMBL1974192

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.59
RORC P51449 1/20 0.52
USP30 Q70CQ3 1/20 0.47
UBE2M P61081 2/20 0.47
DCUN1D1 Q96GG9 2/20 0.47
STS P08842 1/20 0.45
EPHX2 P34913 1/20 0.44
CXCR3 P49682 2/20 0.44
NTRK1 P04629 1/20 0.43
NAMPT P43490 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
SCHEMBL30693172 0.94 TACR1 (0.51) TACR1RORCUSP30STSEPHX2
SCHEMBL1968682 0.94 TACR1 (0.51) TACR1RORCUSP30STSEPHX2
SCHEMBL30693218 0.92 TACR1 (0.49) TACR1RORCUBE2MDCUN1D1STS
SCHEMBL30693171 0.92 TACR1 (0.49) TACR1RORCUBE2MDCUN1D1STS
SCHEMBL1968672 0.92 TACR1 (0.49) TACR1RORCUBE2MDCUN1D1STS
SCHEMBL1973928 0.92 TACR1 (0.49) TACR1RORCUSP30UBE2MDCUN1D1
SCHEMBL1969544 0.92 TACR1 (0.49) TACR1RORCUBE2MDCUN1D1STS
SCHEMBL30693214 0.91 TACR1 (0.49) TACR1RORCUBE2MDCUN1D1STS
SCHEMBL1969849 0.91 TACR1 (0.49) TACR1RORCUBE2MDCUN1D1STS
SCHEMBL15397558 0.88 UBE2M (0.52) TACR1UBE2MDCUN1D1EPHX2CXCR3

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 13/4885RORC 3261/4885USP30 4000/4885

“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.