SCHEMBL506191

SCHEMBL506191

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(OCc3ccccn3)c2CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
POLB P06746 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
GRM5 P41594 3/20 0.43
PDE10A Q9Y233 1/20 0.42
HCRTR2 O43614 1/20 0.41
USP30 Q70CQ3 1/20 0.40
GRM1 Q13255 1/20 0.39
NR1H2 P55055 1/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
HTR2A P28223 1/20 0.39
KDM1A O60341 1/20 0.39
MAPT P10636 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL2254144 0.82 POLB (0.42) ESR2POLBGPR119GRM5PDE10A
SCHEMBL506282 0.80 ESR2 (0.48) ESR2POLBGPR119GRM5GRM1
SCHEMBL506141 0.78 GPR119 (0.49) ESR2GPR119NR1H2MAPT
SCHEMBL2255679 0.77 ACHE (0.46) ESR2POLBGPR119GRM5PDE10A
SCHEMBL30199547 0.77 NR1H2 (0.55) ESR2GPR119GRM5PDE10AHCRTR2
SCHEMBL507080 0.77 ESR2 (0.46) ESR2POLBGPR119NR1H2MAPT
SCHEMBL2255676 0.76 GPR119 (0.45) ESR2POLBGPR119GRM5USP30
SCHEMBL2255200 0.76 ESR2 (0.47) ESR2POLBGPR119NR1H2
SCHEMBL2254143 0.75 GPR119 (0.43) ESR2POLBGPR119GRM5GRM1
SCHEMBL506207 0.74 ESR1 (0.39) ESR2HCRTR2HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
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

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 ESR2 210/4885POLB 4710/4885GPR119 36/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885POLB 4710/4885GPR119 36/4885

“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.