SCHEMBL1968682

SCHEMBL1968682

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.51
RORC P51449 1/20 0.48
MAPT P10636 1/20 0.46
STS P08842 1/20 0.46
EPHX2 P34913 6/20 0.45
CXCR3 P49682 2/20 0.44
P2RY14 Q15391 1/20 0.44
FPR2 P25090 3/20 0.42
TGFBR1 P36897 1/20 0.42
FPR1 P21462 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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 1.00 TACR1 (0.51) TACR1RORCMAPTSTSEPHX2
SCHEMBL1968672 0.95 TACR1 (0.49) TACR1RORCMAPTSTSCXCR3
SCHEMBL1969544 0.95 TACR1 (0.49) TACR1RORCMAPTSTSCXCR3
SCHEMBL30693218 0.95 TACR1 (0.49) TACR1RORCMAPTSTSCXCR3
SCHEMBL30693171 0.95 TACR1 (0.49) TACR1RORCMAPTSTSCXCR3
SCHEMBL1973928 0.95 TACR1 (0.49) TACR1RORCMAPTSTSEPHX2
SCHEMBL30693214 0.94 TACR1 (0.49) TACR1RORCSTSCXCR3FPR2
SCHEMBL1969849 0.94 TACR1 (0.49) TACR1RORCSTSCXCR3FPR2
SCHEMBL1974192 0.94 TACR1 (0.59) TACR1RORCSTSEPHX2CXCR3
SCHEMBL1970583 0.89 TACR1 (0.44) TACR1RORCSTSEPHX2CXCR3

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 13/4885RORC 3261/4885MAPT 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.