Sugi Predict

Sugi Predict / Compounds / SCHEMBL507459

SCHEMBL507459

SCHEMBL507459

CC(C)(C)NC(=O)c1ccc(CSc2c(Cl)ccc3c2CCN(C(=O)OC(C)(C)C)CC3)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RORC P51449 1/20 0.33

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
SCHEMBL506745 0.92 ESR2 (0.41) ESR2USP30NR1H2SMN1; SMN2KDM1A
SCHEMBL507806 0.91 ESR2 (0.39) ESR2USP30NR1H2SMN1; SMN2KDM1A
SCHEMBL507735 0.91 ESR2 (0.40) ESR2USP30NR1H2SMN1; SMN2KDM1A
SCHEMBL507557 0.88 ESR2 (0.36) ESR2USP30NR1H2SMN1; SMN2KDM1A
SCHEMBL507556 0.88 ESR2 (0.36) ESR2USP30NR1H2SMN1; SMN2KDM1A
SCHEMBL506946 0.86 ESR2 (0.41) ESR2USP30NR1H2SMN1; SMN2KDM1A
SCHEMBL507558 0.85 KDM1A (0.47) ESR2NR1H2SMN1; SMN2KDM1AHTT
SCHEMBL507625 0.84 ESR2 (0.39) ESR2NR1H2SMN1; SMN2KDM1ANPSR1
SCHEMBL506867 0.83 ESR2 (0.43) ESR2NR1H2SMN1; SMN2KDM1AHTT
SCHEMBL506695 0.82 ESR2 (0.38) ESR2NR1H2SMN1; SMN2KDM1A

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 210/4885USP30 3051/4885NR1H2 299/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885USP30 3833/4885NR1H2 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.