SCHEMBL2255679

SCHEMBL2255679

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(CNc3ccccn3)c2CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
POLB P06746 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
GRM5 P41594 2/20 0.41
ESR2 Q92731 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CCNT1 O60563 1/20 0.39
NOS2 P35228 1/20 0.39
KDR P35968 1/20 0.39
GRM1 Q13255 1/20 0.38
NR1H2 P55055 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GRIN2B Q13224 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
USP30 Q70CQ3 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
SCHEMBL2254144 0.81 POLB (0.42) POLBGPR119GRM5ESR2KDR
SCHEMBL2256587 0.79 ESR2 (0.51) POLBGPR119ESR2NR1H2
SCHEMBL2254528 0.79 ESR2 (0.51) POLBGPR119ESR2NR1H2
SCHEMBL2255200 0.79 ESR2 (0.47) POLBGPR119ESR2NR1H2
SCHEMBL2255061 0.78 ESR2 (0.50) POLBGPR119ESR2NR1H2
SCHEMBL2253554 0.78 ESR2 (0.50) POLBGPR119ESR2NR1H2
SCHEMBL2254913 0.78 ESR2 (0.50) POLBGPR119ESR2NR1H2
SCHEMBL506191 0.77 ESR2 (0.47) POLBGPR119GRM5ESR2KDR
SCHEMBL2254895 0.76 ESR2 (0.44) POLBGPR119ESR2NR1H2
SCHEMBL507464 0.76 ACHE (0.49) ACHEGPR119ESR2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994163-B2 e.g. 3-tert-Butoxycarbonyl-7-chloro-6-chloromethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine; serotonin receptor agonist; antidepressant, anxiolytic agent; obesity, obsessive compulsive disorder ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
EP-1924560-B1 6-SUBSTITUTED- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-08-05 EP disclosed
US-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-16 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 (1 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-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3C, HTR3A ACHE 3795/4885POLB 4614/4885GPR119 38/4885

“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.