SCHEMBL2176282

SCHEMBL2176282

C[C@H]1C(=O)N(C)C(=NC(=O)OC(C)(C)C)N[C@]1(C)c1cccc(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
GRM5 P41594 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL2964902 0.86 HCAR3 (0.37) RXFP1GRM5CHRNA1CHRNGCHRNB1
SCHEMBL2964904 0.86 HCAR3 (0.37) RXFP1GRM5CHRNA1CHRNGCHRNB1
SCHEMBL8247691 0.80 RORC (0.36) RORCGRM5CHRNA1CHRNGCHRNB1
SCHEMBL9923747 0.80 GRM5 (0.35) RORCRXFP1GRM5CHRNA1CHRNG
SCHEMBL2172997 0.80 GRM5 (0.35) RORCRXFP1GRM5CHRNA1CHRNG
SCHEMBL3382 0.80 GRM5 (0.35) RORCRXFP1GRM5CHRNA1CHRNG
SCHEMBL2173003 0.80 GRM5 (0.35) RORCRXFP1GRM5CHRNA1CHRNG
SCHEMBL7999897 0.79 RORC (0.35) RORCGRM5
SCHEMBL14576457 0.77 HCAR3 (0.35) RXFP1GRM5CHRNA1CHRNGCHRNB1
SCHEMBL7581890 0.75 CHRNA1 (0.37) RXFP1CHRNA1CHRNGCHRNB1CHRNB2

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-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2011-09-08 US disclosed
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US 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-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 RORC 2929/4885RXFP1 442/4885GRM5 725/4885

“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.