SCHEMBL1968674

SCHEMBL1968674

CC(C)(C)C1[C@H](c2ccc(F)cc2)[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 5/20 0.41
DCUN1D1 Q96GG9 5/20 0.41
TACR1 P25103 5/20 0.41
CXCR3 P49682 3/20 0.41
MAPT P10636 2/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.39
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1969545 1.00 UBE2M (0.41) UBE2MDCUN1D1TACR1CXCR3MAPT
SCHEMBL1968683 0.94 EPHX2 (0.42) UBE2MDCUN1D1TACR1CXCR3MAPT
SCHEMBL1973929 0.93 UBE2M (0.42) UBE2MDCUN1D1TACR1CXCR3MAPT
SCHEMBL1974193 0.93 TACR1 (0.48) UBE2MDCUN1D1TACR1CXCR3MAPT
SCHEMBL1969850 0.92 RHOC (0.48) UBE2MDCUN1D1TACR1CXCR3MAPT
SCHEMBL1968705 0.88 TACR1 (0.43) TACR1CXCR3
SCHEMBL1970587 0.87 RHOC (0.39) UBE2MDCUN1D1TACR1CXCR3MAPT
SCHEMBL1968282 0.85 KDR (0.38) UBE2MDCUN1D1TACR1CXCR3MAPT
SCHEMBL1973536 0.84 TACR1 (0.41) TACR1
SCHEMBL1968873 0.79 TACR1 (0.41) UBE2MDCUN1D1TACR1CXCR3MAPT

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 UBE2M 2416/4885DCUN1D1 1688/4885TACR1 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.