Sugi Predict

Sugi Predict / Compounds / SCHEMBL507469

SCHEMBL507469

SCHEMBL507469

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.41
▸ ESR2 Q92731 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ LIPE Q05469 1/20 0.39
▸ NR1H2 P55055 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ ABHD6 Q9BV23 1/20 0.36
▸ DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL506870 0.88 ESR2 (0.41) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL506835 0.88 ESR2 (0.43) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL507530 0.87 ESR2 (0.43) ESR2NR1H2KDM1ASMN1; SMN2GAA
SCHEMBL507728 0.86 ESR2 (0.44) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL507934 0.86 ESR2 (0.42) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL506895 0.86 GPR119 (0.42) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL507558 0.86 KDM1A (0.47) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL507456 0.86 ESR2 (0.39) GPR119ESR2NR1H2KDM1ASMN1; SMN2
SCHEMBL507908 0.85 YAP1 (0.46) GPR119ESR2PPARDPPARASMN1; SMN2
SCHEMBL506630 0.85 SMN1; SMN2 (0.37) ESR2KDM1ASMN1; SMN2GAATHRB

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 GPR119 36/4885ESR2 210/4885KCNH2 807/4885
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 319/4885KCNH2 1214/4885

“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.