SCHEMBL967768

SCHEMBL967768

CC(C)(C)OC(=O)NC1=N[C@@]2(c3cccc(Br)c3)CCOCC2CS1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
BACE1 P56817 4/20 0.34
USP30 Q70CQ3 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
FPR3 P25089 7/20 0.33
FPR2 P25090 7/20 0.33
EGFR P00533 1/20 0.31
RAF1 P04049 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
AURKB Q96GD4 1/20 0.31
RORC P51449 2/20 0.31
BCL2 P10415 1/20 0.31
BECN1 Q14457 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
SCHEMBL966555 1.00 HCRTR1 (0.37) HCRTR1HCRTR2BACE1USP30AAK1
SCHEMBL12851582 1.00 HCRTR1 (0.37) HCRTR1HCRTR2BACE1USP30AAK1
SCHEMBL6878525 1.00 HCRTR1 (0.37) HCRTR1HCRTR2BACE1USP30AAK1
SCHEMBL932766 0.90 HCRTR1 (0.37) HCRTR1HCRTR2BACE1AAK1RORC
SCHEMBL6874988 0.90 HCRTR1 (0.37) HCRTR1HCRTR2BACE1AAK1RORC
SCHEMBL949522 0.86 USP30 (0.36) HCRTR1HCRTR2BACE1USP30AAK1
SCHEMBL968545 0.86 ALDH1A1 (0.34) BACE1
SCHEMBL968863 0.86 ALDH1A1 (0.34) BACE1
SCHEMBL14299101 0.86 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL12851707 0.82 BACE1 (0.55) BACE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP HCRTR1 1604/4885HCRTR2 1477/4885BACE1 1/4885

“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.