Sugi Predict

Sugi Predict / Compounds / SCHEMBL507589

SCHEMBL507589

SCHEMBL507589

CC(Sc1c(C#N)ccc2c1CCN(C(=O)OC(C)(C)C)CC2)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 9/20 0.42
▸ NR1H2 P55055 1/20 0.40
▸ ESR2 Q92731 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ GRM1 Q13255 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
SCHEMBL506920 0.87 ESR2 (0.42) GPR119NR1H2ESR2NPC1ALDH1A1
SCHEMBL5753064 0.84 HRH2 (0.39) GPR119GRM5
SCHEMBL507666 0.82 GPR119 (0.41) GPR119NR1H2ESR2MEN1KMT2A
SCHEMBL507121 0.77 NR1H2 (0.44) GPR119NR1H2ESR2NPC1RAB9A
SCHEMBL506918 0.76 ESR2 (0.41) GPR119NR1H2ESR2NPC1ALDH1A1
SCHEMBL506856 0.76 ESR2 (0.39) GPR119NR1H2ESR2MEN1KMT2A
SCHEMBL2121288 0.75 NR1H2 (0.51) GPR119NR1H2ESR2NPC1RAB9A
SCHEMBL508839 0.74 ESR2 (0.39) GPR119NR1H2ESR2NPC1ALDH1A1
SCHEMBL508838 0.74 ESR2 (0.39) GPR119NR1H2ESR2NPC1ALDH1A1
SCHEMBL508129 0.74 ESR2 (0.44) GPR119NR1H2ESR2NPC1ALDH1A1

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

“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.