SCHEMBL2224934

SCHEMBL2224934

CC(C)(C)OC(=O)N1CCC2c3cc(I)ccc3OCC21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
OPRK1 P41145 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 2/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
SCD5 Q86SK9 1/20 0.32
ACHE P22303 1/20 0.32
RAB9A P51151 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 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
SCHEMBL2226108 0.91 GRM5 (0.40) GRM5NR1H2NR1H3OPRK1LMNA
SCHEMBL6895214 0.84 GRM5 (0.40) GRM5NR1H2NR1H3GPR119
SCHEMBL2227389 0.81 GRM5 (0.41) GRM5NR1H2NR1H3
SCHEMBL2228079 0.80 ALDH1A1 (0.41) GRM5NPC1ACHERAB9ADRD2
SCHEMBL2226709 0.76 GRM5 (0.39) GRM5NR1H2NR1H3LMNANPSR1
SCHEMBL2225594 0.76 USP30 (0.43) GRM5NR1H2NR1H3OPRK1
SCHEMBL2223788 0.75 NR1H2 (0.38) GRM5NR1H2NR1H3GPR119ACHE
SCHEMBL2227962 0.75 GRM5 (0.38) GRM5NR1H2NR1H3OPRK1LMNA
SCHEMBL2224546 0.74 KDM4C (0.38) GRM5NR1H2NR1H3LMNANPSR1
SCHEMBL2363625 0.74 USP30 (0.39) GPR119

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 2804/4885NR1H2 456/4885NR1H3 431/4885
US-20120277186-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP11B2, CYP11B1, CYP4A11 GRM5 2804/4885NR1H2 456/4885NR1H3 431/4885

“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.