SCHEMBL2227389

SCHEMBL2227389

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
ESR2 Q92731 2/20 0.40
CHRNB4 P30926 4/20 0.37
CHRNA3 P32297 4/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR2B P41595 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ESR1 P03372 1/20 0.35

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
SCHEMBL2226108 0.88 GRM5 (0.40) GRM5NR1H2NR1H3
SCHEMBL2228079 0.87 ALDH1A1 (0.41) GRM5
SCHEMBL6895214 0.85 GRM5 (0.40) GRM5NR1H2NR1H3
SCHEMBL2226709 0.83 GRM5 (0.39) GRM5NR1H2NR1H3
SCHEMBL2225594 0.83 USP30 (0.43) GRM5NR1H2NR1H3
SCHEMBL2223788 0.82 NR1H2 (0.38) GRM5NR1H2NR1H3
SCHEMBL2227962 0.82 GRM5 (0.38) GRM5NR1H2NR1H3
SCHEMBL2224934 0.81 GRM5 (0.38) GRM5NR1H2NR1H3
SCHEMBL2224546 0.81 KDM4C (0.38) GRM5NR1H2NR1H3
SCHEMBL6897230 0.76 FFAR4 (0.34) GRM5NR1H2NR1H3

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 16 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
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
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 2804/4885ESR2 2351/4885CHRNB4 2863/4885
US-20120277186-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP11B2, CYP11B1, CYP4A11 GRM5 2804/4885ESR2 2351/4885CHRNB4 2863/4885

“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.