SCHEMBL1968062

SCHEMBL1968062

CC(C)(C)C1[C@@H](NC(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
TACR1 P25103 9/20 0.36
MAPT P10636 2/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
LHCGR P22888 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
TACR3 P29371 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR2 P25090 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
SCHEMBL1972469 0.94 TACR1 (0.41) UBE2MDCUN1D1TACR1MAPTXBP1
SCHEMBL1970589 0.94 TACR1 (0.41) UBE2MDCUN1D1TACR1MAPTXBP1
SCHEMBL1968873 0.94 TACR1 (0.41) UBE2MDCUN1D1TACR1MAPTXBP1
SCHEMBL1973524 0.93 MEN1 (0.37) MAPTMEN1KMT2AFPR2
SCHEMBL1966863 0.90 KDR (0.38) UBE2MDCUN1D1TACR1MAPTXBP1
SCHEMBL2217579 0.86 MAPT (0.38) UBE2MDCUN1D1MAPTMEN1KMT2A
SCHEMBL1970104 0.86 MCHR1 (0.38) UBE2MDCUN1D1TACR1MAPTTACR3
SCHEMBL1969884 0.86 MCHR1 (0.38) UBE2MDCUN1D1TACR1MAPTTACR3
SCHEMBL1972037 0.83 FPR2 (0.37) MAPTXBP1HTTMEN1KMT2A
SCHEMBL1971127 0.83 FPR1 (0.38) UBE2MDCUN1D1MAPTXBP1HTT

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.