SCHEMBL12296159

SCHEMBL12296159

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(-c3nccs3)c2CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.47
ESR2 Q92731 1/20 0.44
POLB P06746 1/20 0.42
NR1H2 P55055 1/20 0.41
CNR1 P21554 1/20 0.39
P2RX7 Q99572 2/20 0.38
MKNK1 Q9BUB5 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DTYMK P23919 1/20 0.37
GRM5 P41594 1/20 0.36
ACACB O00763 1/20 0.36
MAPT P10636 1/20 0.36
STS P08842 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
SCHEMBL507391 0.81 ESR2 (0.42) GPR119ESR2POLBNR1H2CNR1
SCHEMBL3967503 0.81 ESR2 (0.41) GPR119ESR2POLBNR1H2CNR1
SCHEMBL38664820 0.80 GPR119 (0.45) GPR119ESR2POLBNR1H2CNR1
SCHEMBL2115820 0.79 GPR119 (0.57) GPR119ESR2POLBNR1H2CNR1
SCHEMBL14115666 0.78 ESR2 (0.49) GPR119ESR2POLBNR1H2MEN1
SCHEMBL2369209 0.78 CNR1 (0.42) GPR119ESR2POLBNR1H2CNR1
SCHEMBL12296721 0.78 POLB (0.44) GPR119ESR2POLBNR1H2MEN1
SCHEMBL506203 0.77 ESR2 (0.57) GPR119ESR2POLBNR1H2MEN1
SCHEMBL2254528 0.76 ESR2 (0.51) GPR119ESR2POLBNR1H2MEN1
SCHEMBL507329 0.76 ESR2 (0.53) GPR119ESR2POLBNR1H2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
WO-2007028131-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 GPR119 36/4885ESR2 210/4885POLB 4710/4885
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists HTR2C, HTR2A, HTR1A GPR119 42/4885ESR2 150/4885POLB 4627/4885

“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.