SCHEMBL2227962

SCHEMBL2227962

CC(C)[Si](Sc1ccc2c(c1)OCC1C2CCN1C(=O)OC(C)(C)C)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
GHSR Q92847 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
USP30 Q70CQ3 1/20 0.32
OPRK1 P41145 1/20 0.31
NQO1 P15559 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2226709 0.83 GRM5 (0.39) GRM5NR1H2NR1H3MAPTNPSR1
SCHEMBL2227389 0.82 GRM5 (0.41) GRM5NR1H2NR1H3
SCHEMBL2226108 0.81 GRM5 (0.40) GRM5NR1H2NR1H3NPSR1GPR119
SCHEMBL2224546 0.80 KDM4C (0.38) GRM5GHSRNR1H2NR1H3MAPT
SCHEMBL2228079 0.80 ALDH1A1 (0.41) GRM5GHSRMAPTALDH1A1USP30
SCHEMBL2226286 0.79 USP30 (0.39) MAPTGPR119ALDH1A1USP30NPC1
SCHEMBL6897230 0.79 FFAR4 (0.34) GRM5GHSRNR1H2NR1H3GPR119
SCHEMBL6895214 0.78 GRM5 (0.40) GRM5NR1H2NR1H3GPR119MAPK1
SCHEMBL2225594 0.76 USP30 (0.43) GRM5NR1H2NR1H3HSD11B1USP30
SCHEMBL2223788 0.76 NR1H2 (0.38) GRM5NR1H2NR1H3GPR119HSD11B1

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 14 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-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
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-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
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
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 2804/4885GHSR 1447/4885NR1H2 456/4885
US-20120277186-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP11B2, CYP11B1, CYP4A11 GRM5 2804/4885GHSR 1447/4885NR1H2 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.