SCHEMBL1970589

SCHEMBL1970589

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.41
MAPT P10636 2/20 0.39
TACR3 P29371 3/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
CXCR3 P49682 2/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 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
SCHEMBL1968873 1.00 TACR1 (0.41) TACR1MAPTTACR3UBE2MDCUN1D1
SCHEMBL1972469 1.00 TACR1 (0.41) TACR1MAPTTACR3UBE2MDCUN1D1
SCHEMBL1968062 0.94 UBE2M (0.38) TACR1MAPTTACR3UBE2MDCUN1D1
SCHEMBL1966863 0.94 KDR (0.38) TACR1MAPTTACR3UBE2MDCUN1D1
SCHEMBL2217579 0.91 MAPT (0.38) MAPTUBE2MDCUN1D1CXCR3
SCHEMBL1971127 0.89 FPR1 (0.38) MAPTUBE2MDCUN1D1CXCR3XBP1
SCHEMBL1970104 0.88 MCHR1 (0.38) TACR1MAPTTACR3UBE2MDCUN1D1
SCHEMBL1969884 0.88 MCHR1 (0.38) TACR1MAPTTACR3UBE2MDCUN1D1
SCHEMBL1969199 0.88 TACR1 (0.42) TACR1
SCHEMBL1972037 0.87 FPR2 (0.37) MAPTXBP1HTT

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 TACR1 13/4885MAPT 2535/4885TACR3 82/4885

“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.