SCHEMBL5835522

SCHEMBL5835522

COc1ccc2c(c1)CCC(NC(=O)OCC(C)C)(C(=O)O)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.49
CXCR5 P32302 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.40
SLC18A2 Q05940 3/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 2/20 0.38
RAB9A P51151 2/20 0.38
ADRA2A P08913 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL5835360 0.86 GHSR (0.50) GHSRCXCR5SMN1; SMN2SLC18A2
SCHEMBL5835274 0.84 GHSR (0.65) GHSRCXCR5KDM4E
SCHEMBL10913544 0.82 CXCR5 (0.54) CXCR5SMN1; SMN2MAPTKDM4EGLA
SCHEMBL5835656 0.82 GHSR (0.78) GHSRCXCR5SMN1; SMN2MAPTRAB9A
SCHEMBL5835243 0.82 GHSR (0.78) GHSRCXCR5SMN1; SMN2MAPTRAB9A
SCHEMBL5835214 0.78 GHSR (0.53) GHSRCXCR5SMN1; SMN2SLC18A2MAPT
SCHEMBL5836521 0.77 GHSR (0.64) GHSRCXCR5SMN1; SMN2KDM4E
SCHEMBL5834973 0.74 GHSR (0.68) GHSRCXCR5SLC18A2KDM4E
SCHEMBL5835834 0.74 GHSR (0.54) GHSRCXCR5SLC18A2KDM4E
SCHEMBL5834736 0.73 GHSR (0.60) GHSRCXCR5SMN1; SMN2KDM4E

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 1553/4885SMN1; SMN2 2106/4885

“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.