SCHEMBL5835137

SCHEMBL5835137

COC(=O)C1(C(=O)OC(C)(C)C)CCc2cccc(OC)c2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 0.44
ADRA2A P08913 1/20 0.43
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
EPHX2 P34913 1/20 0.38
KCNH2 Q12809 1/20 0.37
GHSR Q92847 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL5835267 0.91 ADRA2A (0.43) MTNR1AMTNR1BADRA2ACYP1A2MAPT
SCHEMBL5835478 0.85 ADRA2A (0.46) MTNR1AMTNR1BADRA2ACYP1A2MAPT
SCHEMBL5835134 0.77 ADRA2A (0.48) MTNR1AMTNR1BADRA2ACYP1A2MAPT
SCHEMBL7917604 0.76 ADRA2A (0.47) MTNR1AMTNR1BADRA2ACYP1A2MAPT
SCHEMBL7918711 0.75 MTNR1A (0.41) MTNR1AMTNR1BADRA2ACYP1A2MAPT
SCHEMBL32683822 0.75 EPHX2 (0.39) MAPTEPHX2GHSRNOTUM
SCHEMBL7772440 0.70 MTNR1A (0.47) MTNR1AMTNR1BADRA2ACYP1A2MAPT
SCHEMBL5835084 0.70 GHSR (0.41) EPHX2GHSR
Hydrochloric Acid SCHEMBL10914162 0.69 MTNR1A (0.45) MTNR1AMTNR1BADRA2ACYP1A2MAPT
SCHEMBL8074255 0.68 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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 MTNR1A 84/4885MTNR1B 97/4885ADRA2A 553/4885

“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.