SCHEMBL9607543

SCHEMBL9607543

CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRB1 P18505 1/20 0.57
GABRB2 P47870 1/20 0.57
MAPT P10636 1/20 0.57
CTSK P43235 5/20 0.55
CTSS P25774 4/20 0.55
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
IDO1 P14902 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL9607542 1.00 GABRB1 (0.57) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL1954379 0.89 GABRB1 (0.56) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL56893 0.89 GABRB1 (0.56) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL56959 0.89 GABRB1 (0.56) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL20721134 0.87 GABRB1 (0.55) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL15045485 0.86 HTT (0.54) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL13132826 0.86 HTT (0.54) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL13051349 0.86 MAPT (0.60) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL90008 0.86 MAPT (0.57) GABRB1GABRB2MAPTCTSKCTSS
SCHEMBL90081 0.86 MAPT (0.57) GABRB1GABRB2MAPTCTSKCTSS

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-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 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-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH GABRB1 115/4885GABRB2 170/4885MAPT 764/4885

“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.