SCHEMBL2223788

SCHEMBL2223788

CC(C)(C)OC(=O)N1CCC2c3ccc(OS(=O)(=O)C(F)(F)F)cc3OCC21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.38
NR1H3 Q13133 4/20 0.38
HSD11B1 P28845 1/20 0.38
GRM5 P41594 3/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
ACHE P22303 1/20 0.35
HTR1D P28221 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL2228079 0.86 ALDH1A1 (0.41) GRM5DRD2DRD3ACHE
SCHEMBL2227389 0.82 GRM5 (0.41) NR1H2NR1H3GRM5
SCHEMBL2226108 0.81 GRM5 (0.40) NR1H2NR1H3HSD11B1GRM5GPR119
SCHEMBL2226709 0.79 GRM5 (0.39) NR1H2NR1H3GRM5GPR119
SCHEMBL6895214 0.78 GRM5 (0.40) NR1H2NR1H3GRM5GPR119
SCHEMBL2224546 0.77 KDM4C (0.38) NR1H2NR1H3GRM5GPR119
SCHEMBL2225594 0.76 USP30 (0.43) NR1H2NR1H3HSD11B1GRM5
SCHEMBL31513895 0.76 HSD11B1 (0.39) NR1H2NR1H3HSD11B1DRD2DRD3
SCHEMBL2227962 0.76 GRM5 (0.38) NR1H2NR1H3HSD11B1GRM5GPR119
SCHEMBL2224934 0.75 GRM5 (0.38) NR1H2NR1H3GRM5DRD2DRD3

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 7 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-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
EP-2516446-A2 SUBSTITUTED HEXAHYDROCHROMENO[3,4-B]PYRROLES WITH AFFINITY FOR THE SEROTONIN RECEPTOR (5-HT) FAMILY Cephalon, Inc. (US) 2012-10-31 EP 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 NR1H2 456/4885NR1H3 431/4885HSD11B1 19/4885
US-20120277186-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP11B2, CYP11B1, CYP4A11 NR1H2 456/4885NR1H3 431/4885HSD11B1 19/4885

“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.