Sugi Predict

Sugi Predict / Compounds / SCHEMBL506856

SCHEMBL506856

SCHEMBL506856

CC(Sc1c(Cl)ccc2c1CCN(C(=O)OC(C)(C)C)CC2)c1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.39
▸ NR1H2 P55055 2/20 0.37
▸ PRMT5 O14744 2/20 0.35
▸ WDR77 Q9BQA1 2/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ STS P08842 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AR P10275 1/20 0.34
▸ NSD2 O96028 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 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
SCHEMBL508129 0.84 ESR2 (0.44) ESR2GPR119NR1H2PRMT5WDR77
SCHEMBL507451 0.80 ESR2 (0.42) ESR2GPR119NR1H2PRMT5WDR77
SCHEMBL506920 0.80 ESR2 (0.42) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL507829 0.79 ESR2 (0.46) ESR2GPR119NR1H2PRMT5WDR77
SCHEMBL507317 0.79 ESR2 (0.43) ESR2GPR119NR1H2PRMT5WDR77
SCHEMBL506918 0.79 ESR2 (0.41) ESR2GPR119NR1H2STSMEN1
SCHEMBL507061 0.79 POLB (0.40) ESR2GPR119NR1H2PRMT5WDR77
SCHEMBL2252750 0.77 ESR2 (0.51) ESR2GPR119NR1H2NR1H3POLB
SCHEMBL507993 0.77 ESR2 (0.45) ESR2GPR119NR1H2PRMT5WDR77
SCHEMBL508144 0.77 ESR2 (0.41) ESR2GPR119NR1H2PRMT5WDR77

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 210/4885GPR119 36/4885NR1H2 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 319/4885GPR119 36/4885NR1H2 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.