SCHEMBL6897230

SCHEMBL6897230

CC(C)Oc1cc(F)cc(Sc2ccc3c(c2)OCC2C3CCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.34
GHSR Q92847 2/20 0.33
HTR6 P50406 1/20 0.33
NR1H3 Q13133 5/20 0.33
NR1H2 P55055 4/20 0.33
GRM5 P41594 3/20 0.33
GPR119 Q8TDV5 4/20 0.32

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
SCHEMBL2224546 0.86 KDM4C (0.38) GHSRNR1H3NR1H2GRM5GPR119
SCHEMBL2226709 0.82 GRM5 (0.39) NR1H3NR1H2GRM5GPR119
SCHEMBL2225115 0.82 HTR6 (0.41) FFAR4HTR6GPR119
SCHEMBL2227962 0.79 GRM5 (0.38) GHSRNR1H3NR1H2GRM5GPR119
SCHEMBL2228079 0.76 ALDH1A1 (0.41) GHSRGRM5
SCHEMBL2227389 0.76 GRM5 (0.41) NR1H3NR1H2GRM5
SCHEMBL2226108 0.75 GRM5 (0.40) NR1H3NR1H2GRM5GPR119
SCHEMBL2223788 0.73 NR1H2 (0.38) NR1H3NR1H2GRM5GPR119
SCHEMBL6895214 0.72 GRM5 (0.40) NR1H3NR1H2GRM5GPR119
SCHEMBL2225594 0.70 USP30 (0.43) NR1H3NR1H2GRM5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368257-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. 2015-12-24 US disclosed
US-20150368257-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. 2015-12-24 US disclosed
US-9115147-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2015-08-25 US disclosed
US-9115147-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2015-08-25 US disclosed
EP-2792678-A1 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2014-10-22 EP disclosed
EP-2516446-B1 SUBSTITUTED HEXAHYDROCHROMENO[3,4-B]PYRROLES WITH AFFINITY FOR THE SEROTONIN RECEPTOR (5-HT) FAMILY CEPHALON INC (US) 2014-08-13 EP disclosed
US-20120277186-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. (US) 2012-11-01 US disclosed
US-20120277186-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. (US) 2012-11-01 US disclosed
WO-2011087713-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON, INC. (US) 2011-07-21 WO 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 (2 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-20150368257-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP11B2, CYP11B1, CYP4A11 FFAR4 976/4885GHSR 1447/4885HTR6 874/4885
US-20120277186-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP11B2, CYP11B1, CYP4A11 FFAR4 976/4885GHSR 1447/4885HTR6 874/4885

“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.