SCHEMBL507121

SCHEMBL507121

CN(C)C(=O)Sc1c(C#N)ccc2c1CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
ESR2 Q92731 1/20 0.42
GPR119 Q8TDV5 15/20 0.42
NR1H3 Q13133 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL507409 0.86 ESR2 (0.45) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL506780 0.85 ESR2 (0.44) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL506613 0.85 ESR2 (0.46) NR1H2ESR2GPR119NR1H3NPC1
SCHEMBL507336 0.83 ESR2 (0.42) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL508127 0.83 ESR1 (0.41) ESR2
SCHEMBL10228432 0.82 ESR2 (0.44) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL2121288 0.80 NR1H2 (0.51) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL507709 0.78 ESR2 (0.43) NR1H2ESR2GPR119
SCHEMBL507666 0.77 GPR119 (0.41) NR1H2ESR2GPR119
SCHEMBL507589 0.77 GPR119 (0.42) NR1H2ESR2GPR119NPC1RAB9A

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 NR1H2 299/4885ESR2 210/4885GPR119 36/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A NR1H2 665/4885ESR2 319/4885GPR119 36/4885

“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.