SCHEMBL507094

SCHEMBL507094

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(CS(C)(=O)=O)cc3)c2CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.46
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
STS P08842 4/20 0.38
KDM1A O60341 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL506834 0.89 ESR2 (0.41) GPR119ESR2NR1H2STSKDM1A
SCHEMBL506835 0.89 ESR2 (0.43) GPR119ESR2NR1H2STSKDM1A
SCHEMBL507530 0.88 ESR2 (0.43) ESR2NR1H2STSKDM1ASMN1; SMN2
SCHEMBL506895 0.87 GPR119 (0.42) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL507934 0.87 ESR2 (0.42) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL507728 0.87 ESR2 (0.44) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL507558 0.87 KDM1A (0.47) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL506870 0.85 ESR2 (0.41) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL507469 0.84 GPR119 (0.41) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL506867 0.84 ESR2 (0.43) GPR119ESR2NR1H2KDM1ASMN1; SMN2

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 9 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
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-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-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-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 GPR119 36/4885ESR2 210/4885NR1H2 299/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A GPR119 36/4885ESR2 319/4885NR1H2 665/4885

“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.