SCHEMBL506141

SCHEMBL506141

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(OCc3ccc(C#N)cc3)c2CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.49
ESR2 Q92731 1/20 0.46
P2RX7 Q99572 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
NR1H2 P55055 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 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
SCHEMBL506282 0.87 ESR2 (0.48) GPR119ESR2NR1H2
SCHEMBL2252750 0.79 ESR2 (0.51) GPR119ESR2NR1H2
SCHEMBL506191 0.78 ESR2 (0.47) GPR119ESR2NR1H2MAPT
SCHEMBL5661604 0.78 ESR2 (0.50) GPR119ESR2P2RX7EGLN2NR1H2
SCHEMBL30199041 0.77 GPR119 (0.54) GPR119ESR2NR1H2MAPK1MAPT
SCHEMBL29098120 0.77 GPR119 (0.54) GPR119ESR2NR1H2MAPK1MAPT
SCHEMBL2123156 0.76 ESR2 (0.57) GPR119ESR2EGLN2NR1H2MAPT
SCHEMBL507080 0.76 ESR2 (0.46) GPR119ESR2NR1H2MAPT
SCHEMBL5455730 0.74 GPR119 (0.56) GPR119ESR2EGLN2NR1H2MAPT
SCHEMBL507908 0.74 YAP1 (0.46) GPR119ESR2

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 GPR119 36/4885ESR2 210/4885P2RX7 444/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A GPR119 36/4885ESR2 319/4885P2RX7 241/4885

“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.