SCHEMBL2226709

SCHEMBL2226709

CC(C)(C)OC(=O)N1CCC2c3ccc(Sc4ccccc4)cc3OCC21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
GPR119 Q8TDV5 2/20 0.36
NR1H2 P55055 7/20 0.35
NR1H3 Q13133 5/20 0.35
USP30 Q70CQ3 1/20 0.35
KLK7 P49862 1/20 0.35
RXRA P19793 2/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2224546 0.92 KDM4C (0.38) GRM5GPR119NR1H2NR1H3LTB4R
SCHEMBL6895214 0.84 GRM5 (0.40) GRM5GPR119NR1H2NR1H3KLK7
SCHEMBL2227389 0.83 GRM5 (0.41) GRM5NR1H2NR1H3
SCHEMBL2227962 0.83 GRM5 (0.38) GRM5GPR119NR1H2NR1H3USP30
SCHEMBL2226108 0.83 GRM5 (0.40) GRM5GPR119NR1H2NR1H3ALDH1A1
SCHEMBL6897230 0.82 FFAR4 (0.34) GRM5GPR119NR1H2NR1H3
SCHEMBL2228079 0.82 ALDH1A1 (0.41) GRM5USP30MEN1ALDH1A1KMT2A
SCHEMBL2223788 0.79 NR1H2 (0.38) GRM5GPR119NR1H2NR1H3
SCHEMBL2225594 0.78 USP30 (0.43) GRM5NR1H2NR1H3USP30RXRA
SCHEMBL2224934 0.76 GRM5 (0.38) GRM5GPR119NR1H2NR1H3LMNA

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 GRM5 2804/4885GPR119 1740/4885NR1H2 456/4885
US-20120277186-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP11B2, CYP11B1, CYP4A11 GRM5 2804/4885GPR119 1740/4885NR1H2 456/4885

“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.