Sugi Predict

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SCHEMBL507986

SCHEMBL507986

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3cccc(CO)c3)c2CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ESR2 Q92731 1/20 0.43
▸ NR1H2 P55055 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ KDM1A O60341 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ STS P08842 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.34

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
SCHEMBL506835 0.91 ESR2 (0.43) SMN1; SMN2ESR2NR1H2GAATHRB
SCHEMBL507558 0.89 KDM1A (0.47) SMN1; SMN2ESR2NR1H2GAATHRB
SCHEMBL506867 0.86 ESR2 (0.43) SMN1; SMN2ESR2NR1H2GAATHRB
SCHEMBL507967 0.85 MAPT (0.45) SMN1; SMN2ESR2NR1H2GAATHRB
SCHEMBL507530 0.84 ESR2 (0.43) SMN1; SMN2ESR2NR1H2GAATHRB
SCHEMBL506745 0.84 ESR2 (0.41) SMN1; SMN2ESR2NR1H2GAATHRB
SCHEMBL507728 0.83 ESR2 (0.44) SMN1; SMN2ESR2NR1H2GAATHRB
SCHEMBL506895 0.83 GPR119 (0.42) SMN1; SMN2ESR2NR1H2GAATHRB
SCHEMBL507934 0.83 ESR2 (0.42) SMN1; SMN2ESR2NR1H2GAATHRB
SCHEMBL506946 0.83 ESR2 (0.41) SMN1; SMN2ESR2NR1H2GAATHRB

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 SMN1; SMN2 1853/4885ESR2 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 SMN1; SMN2 2954/4885ESR2 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.