SCHEMBL8065682

SCHEMBL8065682

C[C@@H]1CN(C(=O)OC(C)(C)C)CCc2ccc(N3CCC(F)(F)CC3)nc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
GPR119 Q8TDV5 4/20 0.40
NR1H2 P55055 1/20 0.40
MAP4K4 O95819 2/20 0.39
PDE10A Q9Y233 4/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
IDH1 O75874 2/20 0.36
IDH2 P48735 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 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
SCHEMBL8059109 1.00 ESR2 (0.40) ESR2GPR119NR1H2MAP4K4PDE10A
SCHEMBL4215865 1.00 ESR2 (0.40) ESR2GPR119NR1H2MAP4K4PDE10A
SCHEMBL4203446 0.96 ESR2 (0.38) ESR2GPR119NR1H2MAP4K4PDE10A
SCHEMBL8059842 0.88 GPR119 (0.46) ESR2GPR119NR1H2MAP4K4PDE10A
SCHEMBL8059846 0.88 GPR119 (0.46) ESR2GPR119NR1H2MAP4K4PDE10A
SCHEMBL4206674 0.88 GPR119 (0.46) ESR2GPR119NR1H2MAP4K4PDE10A
SCHEMBL4011248 0.88 ESR2 (0.43) ESR2GPR119NR1H2MAP4K4PDE10A
SCHEMBL4201307 0.88 ESR2 (0.43) ESR2GPR119NR1H2MAP4K4PDE10A
SCHEMBL4014808 0.88 ESR2 (0.43) ESR2GPR119NR1H2MAP4K4PDE10A
SCHEMBL4209371 0.88 ESR2 (0.43) ESR2GPR119NR1H2MAP4K4PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A ESR2 550/4885GPR119 220/4885NR1H2 873/4885

“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.