Sugi Predict

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SCHEMBL507558

SCHEMBL507558

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(Cl)c(Cl)c3)c2CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.47
▸ ESR2 Q92731 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ OPRK1 P41145 1/20 0.40
▸ PTPRG P23470 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ GPR119 Q8TDV5 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
SCHEMBL506867 0.91 ESR2 (0.43) KDM1AESR2L3MBTL1NR1H2SMN1; SMN2
SCHEMBL506835 0.90 ESR2 (0.43) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL507530 0.89 ESR2 (0.43) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL506745 0.89 ESR2 (0.41) KDM1AESR2NR1H2SMN1; SMN2PTPRG
SCHEMBL507986 0.89 SMN1; SMN2 (0.45) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL507934 0.88 ESR2 (0.42) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL507728 0.88 ESR2 (0.44) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL506895 0.88 GPR119 (0.42) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL506946 0.88 ESR2 (0.41) KDM1AESR2NR1H2SMN1; SMN2GAA
SCHEMBL507735 0.87 ESR2 (0.40) KDM1AESR2NR1H2SMN1; SMN2GAA

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 KDM1A 1832/4885ESR2 210/4885L3MBTL1 3221/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KDM1A 1338/4885ESR2 319/4885L3MBTL1 3191/4885

“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.