SCHEMBL507238

SCHEMBL507238

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(N=Cc3cncs3)c2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
GPR119 Q8TDV5 4/20 0.39
NR1H2 P55055 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
STS P08842 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
ACACB O00763 1/20 0.34
GRM5 P41594 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 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
SCHEMBL507237 1.00 ESR2 (0.41) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL507059 0.77 ESR2 (0.41) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL507060 0.76 ESR2 (0.43) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL506203 0.73 ESR2 (0.57) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL507329 0.72 ESR2 (0.53) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL10228372 0.72 NR1H2 (0.55) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL2253375 0.71 ESR2 (0.52) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL2254528 0.70 ESR2 (0.51) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL507668 0.70 ESR2 (0.51) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL2256587 0.70 ESR2 (0.51) ESR2GPR119NR1H2MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
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.