SCHEMBL5834908

SCHEMBL5834908

CC(C)(C)OC(=O)NC1(C(=O)O)CCc2cccc(Br)c2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.47
CXCR5 P32302 8/20 0.39
BACE1 P56817 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
UCHL1 P09936 1/20 0.34
EPHX2 P34913 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
PYGL P06737 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL1162409 0.87 GHSR (0.48) GHSRCXCR5BACE1EPHX2PYGL
SCHEMBL1162415 0.87 GHSR (0.48) GHSRCXCR5BACE1EPHX2PYGL
SCHEMBL8581652 0.87 GHSR (0.48) GHSRCXCR5BACE1EPHX2PYGL
SCHEMBL7916929 0.83 GHSR (0.41) GHSRBACE1MEN1NPC1HTT
SCHEMBL7921532 0.83 GHSR (0.41) GHSRBACE1MEN1NPC1HTT
SCHEMBL7917374 0.83 GHSR (0.42) GHSRBACE1MEN1NPC1HTT
SCHEMBL2813574 0.83 GHSR (0.63) GHSRCXCR5BACE1EPHX2PYGL
SCHEMBL29715495 0.83 GHSR (0.63) GHSRCXCR5BACE1EPHX2PYGL
SCHEMBL18614234 0.83 GHSR (0.63) GHSRCXCR5BACE1EPHX2PYGL
SCHEMBL5835834 0.82 GHSR (0.54) GHSRCXCR5

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-7115767-B2 Tetraline derivatives as ghrelin receptor modulators ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-20050014794-A1 Tetraline derivatives as ghrelin receptor modulators ABBVIE INC. 2005-01-20 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-20050014794-A1 Tetraline derivatives as ghrelin receptor modulators GPR119, GHSR, GIPR GHSR 2/4885CXCR5 1553/4885BACE1 3239/4885

“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.