SCHEMBL508144

SCHEMBL508144

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SC(CO)c3ccccc3)c2CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1H2 P55055 1/20 0.39
UCHL1 P09936 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ACACB O00763 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 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
SCHEMBL507317 0.87 ESR2 (0.43) ESR2PRMT5WDR77MEN1KMT2A
SCHEMBL2378145 0.84 ESR2 (0.41) ESR2PRMT5WDR77MEN1KMT2A
SCHEMBL506631 0.81 ESR2 (0.38) ESR2PRMT5WDR77MEN1KMT2A
SCHEMBL507019 0.79 ESR2 (0.46) ESR2PRMT5WDR77MEN1KMT2A
SCHEMBL506918 0.79 ESR2 (0.41) ESR2MEN1KMT2ANR1H2GPR119
SCHEMBL508129 0.79 ESR2 (0.44) ESR2PRMT5WDR77MEN1KMT2A
SCHEMBL507451 0.78 ESR2 (0.42) ESR2PRMT5WDR77MEN1KMT2A
SCHEMBL506920 0.78 ESR2 (0.42) ESR2MEN1KMT2ANR1H2GPR119
SCHEMBL507967 0.78 MAPT (0.45) ESR2PRMT5WDR77MEN1KMT2A
SCHEMBL14115666 0.78 ESR2 (0.49) ESR2PRMT5WDR77MEN1KMT2A

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 210/4885PRMT5 660/4885WDR77 1505/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885PRMT5 1002/4885WDR77 1303/4885

“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.