SCHEMBL5836253

SCHEMBL5836253

COc1cccc2c1CC(NCC(=O)OCC(C)C)(C(=O)O)CC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.48
KCNH2 Q12809 1/20 0.48
MTNR1A P48039 8/20 0.39
MTNR1B P49286 8/20 0.39
ADRA2A P08913 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
CXCR5 P32302 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL5835214 0.86 GHSR (0.53) GHSRKCNH2MTNR1AMTNR1BADRA2A
SCHEMBL8845587 0.75 MTNR1A (0.45) GHSRKCNH2MTNR1AMTNR1BADRA2A
SCHEMBL5836256 0.75 GHSR (0.69) GHSRKCNH2MTNR1AMTNR1BADRA2A
SCHEMBL8583793 0.73 MTNR1A (0.54) MTNR1AMTNR1BADRA2ACXCR5HDAC1
SCHEMBL8583790 0.73 MTNR1A (0.54) MTNR1AMTNR1BADRA2ACXCR5HDAC1
SCHEMBL8584280 0.73 MTNR1A (0.54) MTNR1AMTNR1BADRA2ACXCR5HDAC1
SCHEMBL5835834 0.72 GHSR (0.54) GHSRKCNH2CXCR5
SCHEMBL5834973 0.72 GHSR (0.68) GHSRKCNH2CXCR5
SCHEMBL5835047 0.71 GHSR (0.46) GHSRSMN1; SMN2
SCHEMBL5835065 0.71 GHSR (0.80) GHSRKCNH2MAPTSMN1; SMN2

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 2/4885KCNH2 3931/4885MTNR1A 84/4885

“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.