SCHEMBL508563

SCHEMBL508563

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCC(=O)Nc3ccccc3)c2CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
ESR2 Q92731 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
NAMPT P43490 3/20 0.41
POLB P06746 1/20 0.40
PTPN11 Q06124 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
STS P08842 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
NR1H2 P55055 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL507672 0.84 ESR2 (0.46) ESR2ALDH1A1MAPTPOLBGPR119
SCHEMBL508050 0.82 ESR2 (0.43) ESR2MAPTPOLBGPR119MEN1
SCHEMBL507948 0.81 ESR2 (0.41) ESR2MAPTPOLBGPR119MEN1
SCHEMBL507814 0.81 ESR2 (0.41) ESR2MAPTGPR119MEN1KMT2A
SCHEMBL507019 0.81 ESR2 (0.46) ESR2MAPTKDM1APOLBGPR119
SCHEMBL10229265 0.80 ESR2 (0.48) ESR2MAPTKDM1APOLBGPR119
SCHEMBL507967 0.80 MAPT (0.45) ESR2MAPTKDM1APOLBMEN1
SCHEMBL507613 0.80 ESR2 (0.42) ESR2MAPTNAMPTGPR119MEN1
SCHEMBL507993 0.79 ESR2 (0.45) ESR2ALDH1A1MAPTPOLBGPR119
SCHEMBL506945 0.79 MAPT (0.51) ESR2ALDH1A1MAPTKDM1APOLB

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 KDR 735/4885ESR2 210/4885ALDH1A1 866/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KDR 839/4885ESR2 319/4885ALDH1A1 500/4885

“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.