SCHEMBL1971127

SCHEMBL1971127

CC(C)(C)C1[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2F)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 3/20 0.38
FPR2 P25090 3/20 0.38
MAPT P10636 2/20 0.38
P2RX1 P51575 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
UBE2M P61081 3/20 0.37
DCUN1D1 Q96GG9 3/20 0.37
MC4R P32245 2/20 0.37
CXCR3 P49682 2/20 0.37
MC1R Q01726 2/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
EPHX2 P34913 2/20 0.37
GRIK1 P39086 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MTOR P42345 1/20 0.35

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
SCHEMBL1969199 0.92 TACR1 (0.42)
SCHEMBL1972469 0.89 TACR1 (0.41) MAPTUBE2MDCUN1D1CXCR3XBP1
SCHEMBL1970589 0.89 TACR1 (0.41) MAPTUBE2MDCUN1D1CXCR3XBP1
SCHEMBL1968873 0.89 TACR1 (0.41) MAPTUBE2MDCUN1D1CXCR3XBP1
SCHEMBL2217579 0.85 MAPT (0.38) MAPTP2RX1UBE2MDCUN1D1CXCR3
SCHEMBL1970827 0.85 TACR2 (0.38) MAPTP2RX1TMPRSS4UBE2MDCUN1D1
SCHEMBL1966863 0.83 KDR (0.38) FPR2MAPTTMPRSS4UBE2MDCUN1D1
SCHEMBL1968062 0.83 UBE2M (0.38) FPR2MAPTUBE2MDCUN1D1XBP1
SCHEMBL1969884 0.81 MCHR1 (0.38) MAPTUBE2MDCUN1D1CXCR3EPHX2
SCHEMBL1970104 0.81 MCHR1 (0.38) MAPTUBE2MDCUN1D1CXCR3EPHX2

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 FPR1 76/4885FPR2 89/4885MAPT 2535/4885

“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.