SCHEMBL507019

SCHEMBL507019

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCCO)c2CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
STS P08842 3/20 0.37
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
GPR119 Q8TDV5 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KDM1A O60341 1/20 0.35
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
PTK2 Q05397 2/20 0.35
ACACB O00763 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
SCHEMBL508112 0.93 ESR2 (0.44) ESR2NR1H2MEN1KMT2APOLB
SCHEMBL10229265 0.90 ESR2 (0.48) ESR2NR1H2MEN1KMT2APOLB
SCHEMBL507911 0.89 ESR2 (0.44) ESR2NR1H2MEN1KMT2APOLB
SCHEMBL10229363 0.88 ESR2 (0.45) ESR2NR1H2MEN1KMT2APRMT5
SCHEMBL508050 0.88 ESR2 (0.43) ESR2NR1H2MEN1KMT2APOLB
SCHEMBL507328 0.87 ESR2 (0.43) ESR2NR1H2MEN1KMT2APOLB
SCHEMBL507672 0.86 ESR2 (0.46) ESR2NR1H2MEN1KMT2APOLB
SCHEMBL507613 0.86 ESR2 (0.42) ESR2NR1H2MEN1KMT2AMAPT
SCHEMBL506835 0.85 ESR2 (0.43) ESR2NR1H2MEN1KMT2APOLB
SCHEMBL507490 0.85 ESR2 (0.42) ESR2NR1H2MAPTPRMT5WDR77

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 7 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
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO 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 210/4885NR1H2 299/4885MEN1 3996/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885NR1H2 665/4885MEN1 3801/4885

“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.